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

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)-3-indolecarboxylic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-1-(cyclopropylmethyl)indole-3-carboxylic acid Formula: C27H22N2O2 MolecularWeight: 406.47578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=CC=CC=C3C(=C2CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

C1CC1CN2C3=CC=CC=C3C(=C2CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C27H22N2O2/c28-16-21-5-1-2-6-22(21)20-13-11-18(12-14-20)15-25-26(27(30)31)23-7-3-4-8-24(23)29(25)17-19-9-10-19/h1-8,11-14,19H,9-10,15,17H2,(H,30,31)