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

Systemtic Name: propyl (4S,5S)-4-(2-butoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: propyl (4S,5S)-4-(2-butoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(2-butoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid propyl ester IUPAC Name: propyl (4S,5S)-4-(2-butoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(2-butoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid propyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-4-6-12-24-15-10-8-7-9-14(15)17-16(18(22)25-11-5-2)13(3)20-19(23)21-17/h7-10,16-17H,3-6,11-12H2,1-2H3,(H2,20,21,23)/t16-,17-/m1/s1