(E)-but-2-enedioic acid,1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
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![(E)-but-2-enedioic acid,1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5eba67883a0b4f2e86b0011ec9ba0716.png "(E)-but-2-enedioic acid,1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone")
(E)-but-2-enedioic acid,1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
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CAS No:
39890-27-2
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Formula:
C35H41N3O12
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Chemical Name:
(E)-but-2-enedioic acid,1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
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Synonyms:
1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone; Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane),6,11-dihydro-4'-(4-((1-pyrrolidinyl)carbonylmethyl)piperazinyl)methyl-,dimaleate;
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CAS No:
(E)-but-2-enedioic acid,1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone Basic Attributes
695.71300
695.26902375
Computed Properties
Molecular Weight:695.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:695.26902375
Monoisotopic Mass:695.26902375
Topological Polar Surface Area:204
Heavy Atom Count:50
Complexity:827
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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