(phenylmethyl) 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-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:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3)O

InChI

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