methyl 4-[(4S,5R)-5-[(4-methoxyphenyl)carbamoyl]-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[(4S,5R)-5-[(4-methoxyphenyl)carbamoyl]-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[(4S,5R)-5-[(4-methoxyphenyl)carbamoyl]-6-methylene-2-oxo-hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[(4S,5R)-5-[(4-methoxyanilino)-oxomethyl]-6-methylene-2-oxo-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4S,5R)-5-[(4-methoxyphenyl)carbamoyl]-6-methylidene-2-oxo-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[(4S,5R)-2-keto-5-[(4-methoxyphenyl)carbamoyl]-6-methylene-hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2C(NC(=O)NC2=C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-12-17(19(25)23-15-8-10-16(28-2)11-9-15)18(24-21(27)22-12)13-4-6-14(7-5-13)20(26)29-3/h4-11,17-18H,1H2,2-3H3,(H,23,25)(H2,22,24,27)/t17-,18+/m0/s1