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

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-methyl-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C23H17N3O2 MolecularWeight: 367.39998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1N=CC=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C(=C(C2=C1N=CC=C2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H17N3O2/c1-26-20(21(23(27)28)19-7-4-12-25-22(19)26)13-15-8-10-16(11-9-15)18-6-3-2-5-17(18)14-24/h2-12H,13H2,1H3,(H,27,28)