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

Systemtic Name: hexyl (4S,5R)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: hexyl (4S,5R)-4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4S,5R)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2,5-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid hexyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-5-6-7-8-11-27-19(23)17-13(2)21-20(24)22-18(17)15-12-14(25-3)9-10-16(15)26-4/h9-10,12,17-18H,2,5-8,11H2,1,3-4H3,(H2,21,22,24)/t17-,18+/m0/s1