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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C28H26N2O2/c1-19(2)15-16-30-25-10-6-5-9-24(25)27(28(31)32)26(30)17-20-11-13-21(14-12-20)23-8-4-3-7-22(23)18-29/h3-14,19H,15-17H2,1-2H3,(H,31,32)