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

Systemtic Name: dimethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-indole-3,7-dicarboxylate Openeye Name: dimethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-indole-3,7-dicarboxylate CAS Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethylindole-3,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethylindole-3,7-dicarboxylate Traditional Name: 1-[4-(2-cyanophenyl)benzyl]-2-ethyl-indole-3,7-dicarboxylic acid dimethyl ester Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=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/C28H24N2O4/c1-4-24-25(28(32)34-3)22-10-7-11-23(27(31)33-2)26(22)30(24)17-18-12-14-19(15-13-18)21-9-6-5-8-20(21)16-29/h5-15H,4,17H2,1-3H3