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

Systemtic Name: pentyl (4S,5R)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-5-6-7-10-26-18(22)16-12(2)20-19(23)21-17(16)14-11-13(24-3)8-9-15(14)25-4/h8-9,11,16-17H,2,5-7,10H2,1,3-4H3,(H2,20,21,23)/t16-,17+/m0/s1