dimethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexyl-indole-3,7-dicarboxylate

Systemtic Name: dimethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexyl-indole-3,7-dicarboxylate Openeye Name: dimethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexyl-indole-3,7-dicarboxylate CAS Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexylindole-3,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexylindole-3,7-dicarboxylate Traditional Name: 1-[4-(2-cyanophenyl)benzyl]-2-hexyl-indole-3,7-dicarboxylic acid dimethyl ester Formula: C32H32N2O4 MolecularWeight: 508.60748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C32H32N2O4/c1-4-5-6-7-15-28-29(32(36)38-3)26-13-10-14-27(31(35)37-2)30(26)34(28)21-22-16-18-23(19-17-22)25-12-9-8-11-24(25)20-33/h8-14,16-19H,4-7,15,21H2,1-3H3