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

Systemtic Name: ethyl (4S,5R)-4-(4-butoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-4-6-11-24-14-9-7-13(8-10-14)16-15(17(21)23-5-2)12(3)19-18(22)20-16/h7-10,15-16H,3-6,11H2,1-2H3,(H2,19,20,22)/t15-,16+/m0/s1