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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-4-5-9-23-16(20)14-11(2)18-17(21)19-15(14)12-7-6-8-13(10-12)22-3/h6-8,10,14-15H,2,4-5,9H2,1,3H3,(H2,18,19,21)/t14-,15-/m1/s1