methyl 6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-benzyl-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-2-keto-6-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC4=C(C(=C3)OC)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC4=C(C(=C3)OC)OCO4)C(=O)OC

InChI

InChI=1S/C22H22N2O6/c1-13-18(21(25)28-3)19(15-9-16(27-2)20-17(10-15)29-12-30-20)23-22(26)24(13)11-14-7-5-4-6-8-14/h4-10,19H,11-12H2,1-3H3,(H,23,26)