2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)-6-methoxy-indole-3-carboxylic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)-6-methoxy-indole-3-carboxylic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)-6-methoxy-indole-3-carboxylic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)-6-methoxy-3-indolecarboxylic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-1-(cyclopropylmethyl)-6-methoxy-indole-3-carboxylic acid Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3CC3)CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3CC3)CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C28H24N2O3/c1-33-22-12-13-24-25(15-22)30(17-19-6-7-19)26(27(24)28(31)32)14-18-8-10-20(11-9-18)23-5-3-2-4-21(23)16-29/h2-5,8-13,15,19H,6-7,14,17H2,1H3,(H,31,32)