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

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-oxidanyl-methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxy-methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxymethyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxymethyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]-hydroxy-methyl]indole-3-carboxylic acid Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=CC=CC=C4C#N)O)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=CC=CC=C4C#N)O)C(=O)O

InChI

InChI=1S/C27H24N2O3/c1-2-3-16-29-23-11-7-6-10-22(23)24(27(31)32)25(29)26(30)19-14-12-18(13-15-19)21-9-5-4-8-20(21)17-28/h4-15,26,30H,2-3,16H2,1H3,(H,31,32)