2-[cyano-(4-phenylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

Systemtic Name: 2-[cyano-(4-phenylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 2-[cyano-(4-phenylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 2-[cyano-(4-phenylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid IUPAC Name: 2-[cyano-(4-phenylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 2-[cyano-(4-phenylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C22H15N3O2 MolecularWeight: 353.3734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C#N)C3=C(C4=C(N3)N=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C#N)C3=C(C4=C(N3)N=CC=C4)C(=O)O

InChI

InChI=1S/C22H15N3O2/c23-13-18(16-10-8-15(9-11-16)14-5-2-1-3-6-14)20-19(22(26)27)17-7-4-12-24-21(17)25-20/h1-12,18H,(H,24,25)(H,26,27)