2-[[4-(2-cyanophenyl)phenyl]methyl]-1-octyl-indole-3-carboxylic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-octyl-indole-3-carboxylic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-octyl-indole-3-carboxylic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-octyl-3-indolecarboxylic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-octylindole-3-carboxylic acid Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-1-octyl-indole-3-carboxylic acid Formula: C31H32N2O2 MolecularWeight: 464.59798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C31H32N2O2/c1-2-3-4-5-6-11-20-33-28-15-10-9-14-27(28)30(31(34)35)29(33)21-23-16-18-24(19-17-23)26-13-8-7-12-25(26)22-32/h7-10,12-19H,2-6,11,20-21H2,1H3,(H,34,35)