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

Systemtic Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-indole-3-carboxylate Openeye Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-indole-3-carboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methylindole-3-carboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]-4-methyl-indole-3-carboxylic acid methyl ester Formula: C29H28N2O2 MolecularWeight: 436.54482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C)C(=O)OC

InChI

InChI=1S/C29H28N2O2/c1-4-5-12-26-28(29(32)33-3)27-20(2)9-8-13-25(27)31(26)19-21-14-16-22(17-15-21)24-11-7-6-10-23(24)18-30/h6-11,13-17H,4-5,12,19H2,1-3H3