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

Systemtic Name: methyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(4-prop-2-enoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(4-allyloxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-(4-prop-2-enoxyphenyl)-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-4-methylidene-2-oxo-6-(4-prop-2-enoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-allyloxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)OCC=C

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C16H18N2O4/c1-4-9-22-12-7-5-11(6-8-12)14-13(15(19)21-3)10(2)17-16(20)18-14/h4-8,13-14H,1-2,9H2,3H3,(H2,17,18,20)/t13-,14+/m1/s1