1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5,7-dimethyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5,7-dimethyl-indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5,7-dimethyl-indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5,7-dimethyl-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5,7-dimethylindole-3-carboxylic acid Traditional Name: 1-butyl-2-[4-(2-cyanophenyl)benzyl]-5,7-dimethyl-indole-3-carboxylic acid Formula: C29H28N2O2 MolecularWeight: 436.54482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=CC(=C21)C)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=C(C2=CC(=CC(=C21)C)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C29H28N2O2/c1-4-5-14-31-26(27(29(32)33)25-16-19(2)15-20(3)28(25)31)17-21-10-12-22(13-11-21)24-9-7-6-8-23(24)18-30/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,32,33)