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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(3-methoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-methoxyphenyl)-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-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid piperonyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6/c1-12-18(19(23-21(25)22-12)14-4-3-5-15(9-14)26-2)20(24)27-10-13-6-7-16-17(8-13)29-11-28-16/h3-9,19H,10-11H2,1-2H3,(H2,22,23,25)