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

Systemtic Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-oxidanyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyano-1-indolyl)phenyl]-hydroxymethyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-hydroxymethyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O3/c1-2-3-15-31-25(24(28(34)35)22-8-6-14-30-27(22)31)26(33)18-10-12-20(13-11-18)32-21(17-29)16-19-7-4-5-9-23(19)32/h4-14,16,26,33H,2-3,15H2,1H3,(H,34,35)