methyl (4S,6R)-1-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-6-methyl-1,3-diazinane-4-carboxylate

Systemtic Name: methyl (4S,6R)-1-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-6-methyl-1,3-diazinane-4-carboxylate Openeye Name: methyl (4S,6R)-1-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-6-methyl-hexahydropyrimidine-4-carboxylate CAS Name: (4S,6R)-1-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-6-methyl-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl (4S,6R)-1-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-6-methyl-1,3-diazinane-4-carboxylate Traditional Name: (4S,6R)-1-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-6-methyl-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C23H27Cl2N3O2 MolecularWeight: 448.38538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(CC(N(C1=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CCCCN1[C@@H](C[C@H](N(C1=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C23H27Cl2N3O2/c1-4-5-14-27-16(2)15-21(22(29)30-3)28(20-12-8-18(25)9-13-20)23(27)26-19-10-6-17(24)7-11-19/h6-13,16,21H,4-5,14-15H2,1-3H3/t16-,21+/m1/s1