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

Systemtic Name: (phenylmethyl) 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)OC)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(N=C(N1)OC)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5/c1-13-18(20(24)26-11-14-6-4-3-5-7-14)19(23-21(22-13)25-2)15-8-9-16-17(10-15)28-12-27-16/h3-10,19H,11-12H2,1-2H3,(H,22,23)