(E)-but-2-enedioic acid; N-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-[cyclohexyl(methyl)amino]-N-methyl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-[cyclohexyl(methyl)amino]-N-methyl-ethanamide Openeye Name: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[cyclohexyl(methyl)amino]-N-methyl-acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-2-[cyclohexyl(methyl)amino]-N-methylacetamide IUPAC Name: (E)-but-2-enedioic acid; N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[cyclohexyl(methyl)amino]-N-methylacetamide Traditional Name: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[cyclohexyl(methyl)amino]-N-methyl-acetamide; fumaric acid Formula: C27H30Cl2N2O6 MolecularWeight: 549.4429

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C3CCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C3CCCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H26Cl2N2O2.C4H4O4/c1-26(17-8-4-3-5-9-17)15-22(28)27(2)21-13-12-16(24)14-19(21)23(29)18-10-6-7-11-20(18)25;5-3(6)1-2-4(7)8/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+