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

Systemtic Name: phenethyl (4S,5R)-4-(3-methoxy-4-propoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: phenethyl (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 phenethyl ester IUPAC Name: phenethyl (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 phenethyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCC3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H28N2O5/c1-4-13-30-19-11-10-18(15-20(19)29-3)22-21(16(2)25-24(28)26-22)23(27)31-14-12-17-8-6-5-7-9-17/h5-11,15,21-22H,2,4,12-14H2,1,3H3,(H2,25,26,28)/t21-,22+/m0/s1