1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-oxidanyl-methyl]indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-oxidanyl-methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-hydroxy-methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyano-1-indolyl)phenyl]-hydroxymethyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-hydroxymethyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-hydroxy-methyl]indole-3-carboxylic acid Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)N4C5=CC=CC=C5C=C4C#N)O)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)N4C5=CC=CC=C5C=C4C#N)O)C(=O)O

InChI

InChI=1S/C29H25N3O3/c1-2-3-16-31-25-11-7-5-9-23(25)26(29(34)35)27(31)28(33)19-12-14-21(15-13-19)32-22(18-30)17-20-8-4-6-10-24(20)32/h4-15,17,28,33H,2-3,16H2,1H3,(H,34,35)