methyl 4-[(4R,5R)-5-(4-chlorophenyl)carbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[(4R,5R)-5-(4-chlorophenyl)carbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[(4R,5R)-5-(4-chlorobenzoyl)-6-methylene-2-oxo-hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[(4R,5R)-5-[(4-chlorophenyl)-oxomethyl]-6-methylene-2-oxo-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R,5R)-5-(4-chlorobenzoyl)-6-methylidene-2-oxo-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[(4R,5R)-5-(4-chlorobenzoyl)-2-keto-6-methylene-hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O4/c1-11-16(18(24)13-7-9-15(21)10-8-13)17(23-20(26)22-11)12-3-5-14(6-4-12)19(25)27-2/h3-10,16-17H,1H2,2H3,(H2,22,23,26)/t16-,17-/m0/s1