1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid piperonyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H22N2O7/c1-3-28-17-9-14(5-6-15(17)25)20-19(12(2)23-22(27)24-20)21(26)29-10-13-4-7-16-18(8-13)31-11-30-16/h4-9,20,25H,3,10-11H2,1-2H3,(H2,23,24,27)