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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(4-ethylphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(4-ethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-ethylphenyl)-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-(4-ethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid piperonyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O5/c1-3-14-4-7-16(8-5-14)20-19(13(2)23-22(26)24-20)21(25)27-11-15-6-9-17-18(10-15)29-12-28-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)