ethyl 3-ethyl-6-(3-fluorophenyl)-2-oxidanylidene-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-6-(3-fluorophenyl)-2-oxidanylidene-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(3-fluorophenyl)-2-oxo-4-(1-piperidylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(3-fluorophenyl)-2-oxo-4-(1-piperidinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(3-fluorophenyl)-2-oxo-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-(3-fluorophenyl)-2-keto-4-(piperidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)F)C(=O)OCC)CN3CCCCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)F)C(=O)OCC)CN3CCCCC3

InChI

InChI=1S/C21H28FN3O3/c1-3-25-17(14-24-11-6-5-7-12-24)18(20(26)28-4-2)19(23-21(25)27)15-9-8-10-16(22)13-15/h8-10,13,19H,3-7,11-12,14H2,1-2H3,(H,23,27)