butyl (4S,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: butyl (4S,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (4S,5S)-4-(4-ethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-ethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid butyl ester IUPAC Name: butyl (4S,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5S,6S)-2-keto-4-methylene-6-p-phenetyl-hexahydropyrimidine-5-carboxylic acid butyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-4-6-11-24-17(21)15-12(3)19-18(22)20-16(15)13-7-9-14(10-8-13)23-5-2/h7-10,15-16H,3-6,11H2,1-2H3,(H2,19,20,22)/t15-,16-/m1/s1