(phenylmethyl) 4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O5/c1-13-18(20(24)28-12-14-7-5-4-6-8-14)19(23-21(25)22-13)15-9-10-16(26-2)17(11-15)27-3/h4-11,18-19H,1,12H2,2-3H3,(H2,22,23,25)