3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
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![3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4e1407a876024f73b2d322bd15cce654.png "3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid")
3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
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CAS No:
136668-70-7
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Formula:
C36H38N2O4
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Chemical Name:
3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
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Synonyms:
L-691,831; 3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid; 3-[N-Benzyl-3-(3,3-dimethyl-1-oxo-1-butyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid;
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CAS No:
3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Basic Attributes
562.69800
562.28315770 g/mol
DTXSID80159883
Computed Properties
Molecular Weight:562.7
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:562.28315770
Monoisotopic Mass:562.28315770
Topological Polar Surface Area:81.4
Heavy Atom Count:42
Complexity:922
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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