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

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-oxidanyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxymethyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxymethyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C26H23N3O3 MolecularWeight: 425.47912

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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=CC=CC=C4C#N)O

Isomeric SMILES

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=C(C=C3)C4=CC=CC=C4C#N)O

InChI

InChI=1S/C26H23N3O3/c1-2-3-15-29-23(22(26(31)32)21-9-6-14-28-25(21)29)24(30)18-12-10-17(11-13-18)20-8-5-4-7-19(20)16-27/h4-14,24,30H,2-3,15H2,1H3,(H,31,32)