methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methoxy-indole-3-carboxylate

Systemtic Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methoxy-indole-3-carboxylate Openeye Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methoxy-indole-3-carboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methoxy-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methoxyindole-3-carboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]-7-methoxy-indole-3-carboxylic acid methyl ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)OC)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)OC)C(=O)OC

InChI

InChI=1S/C29H28N2O3/c1-4-5-12-25-27(29(32)34-3)24-11-8-13-26(33-2)28(24)31(25)19-20-14-16-21(17-15-20)23-10-7-6-9-22(23)18-30/h6-11,13-17H,4-5,12,19H2,1-3H3