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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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