butyl (4S,5R)-4-(3-methoxy-4-propoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-5-7-11-27-19(23)17-13(3)21-20(24)22-18(17)14-8-9-15(26-10-6-2)16(12-14)25-4/h8-9,12,17-18H,3,5-7,10-11H2,1-2,4H3,(H2,21,22,24)/t17-,18+/m0/s1