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1-butyl-2-[(3-cyano-4-phenyl-phenyl)methyl]indole-3-carboxylic acid

1-butyl-2-[(3-cyano-4-phenyl-phenyl)methyl]indole-3-carboxylic acid

Systemtic Name:1-butyl-2-[(3-cyano-4-phenyl-phenyl)methyl]indole-3-carboxylic acid
Openeye Name:1-butyl-2-[(3-cyano-4-phenyl-phenyl)methyl]indole-3-carboxylic acid
CAS Name:1-butyl-2-[(3-cyano-4-phenylphenyl)methyl]-3-indolecarboxylic acid
IUPAC Name:1-butyl-2-[(3-cyano-4-phenylphenyl)methyl]indole-3-carboxylic acid
Traditional Name:1-butyl-2-(3-cyano-4-phenyl-benzyl)indole-3-carboxylic acid
Formula: C27H24N2O2
MolecularWeight: 408.49166
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C(=O)O


Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C(=O)O


InChI

InChI=1S/C27H24N2O2/c1-2-3-15-29-24-12-8-7-11-23(24)26(27(30)31)25(29)17-19-13-14-22(21(16-19)18-28)20-9-5-4-6-10-20/h4-14,16H,2-3,15,17H2,1H3,(H,30,31)


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