1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 1-butyl-2-[4-(2-cyanophenyl)benzyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C26H23N3O2 MolecularWeight: 409.47972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H23N3O2/c1-2-3-15-29-23(24(26(30)31)22-9-6-14-28-25(22)29)16-18-10-12-19(13-11-18)21-8-5-4-7-20(21)17-27/h4-14H,2-3,15-16H2,1H3,(H,30,31)