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

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methylindole-3-carboxylic acid Traditional Name: 1-butyl-2-[4-(2-cyanophenyl)benzyl]-5-methyl-indole-3-carboxylic acid Formula: C28H26N2O2 MolecularWeight: 422.51824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C)C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C28H26N2O2/c1-3-4-15-30-25-14-9-19(2)16-24(25)27(28(31)32)26(30)17-20-10-12-21(13-11-20)23-8-6-5-7-22(23)18-29/h5-14,16H,3-4,15,17H2,1-2H3,(H,31,32)