(phenylmethyl) 4-[3,4-bis(fluoranyl)phenyl]-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[3,4-bis(fluoranyl)phenyl]-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H20F2N2O3 MolecularWeight: 386.391906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N=C(N1)OC)C2=CC(=C(C=C2)F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(N=C(N1)OC)C2=CC(=C(C=C2)F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20F2N2O3/c1-3-17-18(20(26)28-12-13-7-5-4-6-8-13)19(25-21(24-17)27-2)14-9-10-15(22)16(23)11-14/h4-11,19H,3,12H2,1-2H3,(H,24,25)