dimethyl 3,6-bis[(4-chlorophenyl)amino]cyclohexene-1,4-dicarboxylate

Systemtic Name: dimethyl 3,6-bis[(4-chlorophenyl)amino]cyclohexene-1,4-dicarboxylate Openeye Name: dimethyl 3,6-bis(4-chloroanilino)cyclohexene-1,4-dicarboxylate CAS Name: 3,6-bis(4-chloroanilino)cyclohexene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,6-bis(4-chloroanilino)cyclohexene-1,4-dicarboxylate Traditional Name: 3,6-bis(4-chloroanilino)cyclohexene-1,4-dicarboxylic acid dimethyl ester Formula: C22H22Cl2N2O4 MolecularWeight: 449.32708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(=CC1NC2=CC=C(C=C2)Cl)C(=O)OC)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1CC(C(=CC1NC2=CC=C(C=C2)Cl)C(=O)OC)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22Cl2N2O4/c1-29-21(27)17-11-20(26-16-9-5-14(24)6-10-16)18(22(28)30-2)12-19(17)25-15-7-3-13(23)4-8-15/h3-11,18-20,25-26H,12H2,1-2H3