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

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]-oxidanyl-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]-hydroxy-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]-hydroxymethyl]-1-methyl-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]-hydroxymethyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 2-[[4-(2-cyanophenyl)phenyl]-hydroxy-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O3/c1-26-20(19(23(28)29)18-7-4-12-25-22(18)26)21(27)15-10-8-14(9-11-15)17-6-3-2-5-16(17)13-24/h2-12,21,27H,1H3,(H,28,29)