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

Systemtic Name: 2-cyanoethyl 4-[3,4-bis(fluoranyl)phenyl]-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl 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 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 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 2-cyanoethyl ester Formula: C17H17F2N3O3 MolecularWeight: 349.331986

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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)OCCC#N

Isomeric SMILES

CCC1=C(C(N=C(N1)OC)C2=CC(=C(C=C2)F)F)C(=O)OCCC#N

InChI

InChI=1S/C17H17F2N3O3/c1-3-13-14(16(23)25-8-4-7-20)15(22-17(21-13)24-2)10-5-6-11(18)12(19)9-10/h5-6,9,15H,3-4,8H2,1-2H3,(H,21,22)