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

Systemtic Name: methyl (4S,5R)-4-(4-butoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5R)-4-(4-butoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-butoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(4-butoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-butoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC

InChI

InChI=1S/C17H22N2O4/c1-4-5-10-23-13-8-6-12(7-9-13)15-14(16(20)22-3)11(2)18-17(21)19-15/h6-9,14-15H,2,4-5,10H2,1,3H3,(H2,18,19,21)/t14-,15+/m0/s1