ethyl 6-(4-fluorophenyl)-4-[(2-methylpiperidin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-fluorophenyl)-4-[(2-methylpiperidin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-fluorophenyl)-4-[(2-methyl-1-piperidyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-fluorophenyl)-4-[(2-methyl-1-piperidinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-fluorophenyl)-4-[(2-methylpiperidin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(4-fluorophenyl)-2-keto-4-[(2-methylpiperidino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H30FN3O3 MolecularWeight: 415.501003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)CC=C)CN3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)CC=C)CN3CCCCC3C

InChI

InChI=1S/C23H30FN3O3/c1-4-13-27-19(15-26-14-7-6-8-16(26)3)20(22(28)30-5-2)21(25-23(27)29)17-9-11-18(24)12-10-17/h4,9-12,16,21H,1,5-8,13-15H2,2-3H3,(H,25,29)