1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-methylindole-3-carboxylic acid Traditional Name: 1-butyl-2-[4-(2-cyanophenyl)benzyl]-7-methyl-indole-3-carboxylic acid Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C(=CC=C2)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=C(C2=C1C(=CC=C2)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H26N2O2/c1-3-4-16-30-25(26(28(31)32)24-11-7-8-19(2)27(24)30)17-20-12-14-21(15-13-20)23-10-6-5-9-22(23)18-29/h5-15H,3-4,16-17H2,1-2H3,(H,31,32)