1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methoxy-indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methoxy-indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methoxy-indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methoxy-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methoxyindole-3-carboxylic acid Traditional Name: 1-butyl-2-[4-(2-cyanophenyl)benzyl]-5-methoxy-indole-3-carboxylic acid Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O3/c1-3-4-15-30-25-14-13-22(33-2)17-24(25)27(28(31)32)26(30)16-19-9-11-20(12-10-19)23-8-6-5-7-21(23)18-29/h5-14,17H,3-4,15-16H2,1-2H3,(H,31,32)