ethyl 4-(4-chlorophenyl)-2-(1,3-diazinan-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(1,3-diazinan-2-yl)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(4-chlorophenyl)-2-hexahydropyrimidin-2-yl-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-2-(1,3-diazinan-2-yl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(1,3-diazinan-2-yl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-2-hexahydropyrimidin-2-yl-4-keto-butyric acid ethyl ester Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)C2NCCCN2

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)C2NCCCN2

InChI

InChI=1S/C16H21ClN2O3/c1-2-22-16(21)13(15-18-8-3-9-19-15)10-14(20)11-4-6-12(17)7-5-11/h4-7,13,15,18-19H,2-3,8-10H2,1H3