1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-6-oxidanyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-6-oxidanyl-indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-6-hydroxy-indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-6-hydroxy-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-6-hydroxyindole-3-carboxylic acid Traditional Name: 1-butyl-2-[4-(2-cyanophenyl)benzyl]-6-hydroxy-indole-3-carboxylic acid Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)O)C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)O)C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

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