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

Systemtic Name: (phenylmethyl) (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-butoxy-3-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,5R)-4-(4-butoxy-3-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H28N2O5/c1-4-5-13-30-19-12-11-18(14-20(19)29-3)22-21(16(2)25-24(28)26-22)23(27)31-15-17-9-7-6-8-10-17/h6-12,14,21-22H,2,4-5,13,15H2,1,3H3,(H2,25,26,28)/t21-,22+/m0/s1