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

Systemtic Name: 1-butyl-2-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]-oxidanyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanobenzofuran-3-yl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyano-3-benzofuranyl)phenyl]-hydroxymethyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]-hydroxymethyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 1-butyl-2-[[4-(2-cyanobenzofuran-3-yl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C28H23N3O4 MolecularWeight: 465.49992

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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)C4=C(OC5=CC=CC=C54)C#N)O

Isomeric SMILES

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)C#N)O

InChI

InChI=1S/C28H23N3O4/c1-2-3-15-31-25(24(28(33)34)20-8-6-14-30-27(20)31)26(32)18-12-10-17(11-13-18)23-19-7-4-5-9-21(19)35-22(23)16-29/h4-14,26,32H,2-3,15H2,1H3,(H,33,34)