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

Systemtic Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 1-butyl-2-[(2-cyano-1-indolyl)-phenylmethyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenylmethyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=CC=C3)N4C5=CC=CC=C5C=C4C#N

Isomeric SMILES

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=CC=C3)N4C5=CC=CC=C5C=C4C#N

InChI

InChI=1S/C28H24N4O2/c1-2-3-16-31-26(24(28(33)34)22-13-9-15-30-27(22)31)25(19-10-5-4-6-11-19)32-21(18-29)17-20-12-7-8-14-23(20)32/h4-15,17,25H,2-3,16H2,1H3,(H,33,34)