methyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: methyl (5S,6R)-4-methylene-2-oxo-6-(4-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-(4-propoxyphenyl)hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OC

InChI

InChI=1S/C16H20N2O4/c1-4-9-22-12-7-5-11(6-8-12)14-13(15(19)21-3)10(2)17-16(20)18-14/h5-8,13-14H,2,4,9H2,1,3H3,(H2,17,18,20)/t13-,14+/m1/s1