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

Systemtic Name: ethyl 6-(4-fluorophenyl)-2-oxidanylidene-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-fluorophenyl)-2-oxo-4-(1-piperidylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-fluorophenyl)-2-oxo-4-(1-piperidinylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-fluorophenyl)-2-oxo-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(4-fluorophenyl)-2-keto-4-(piperidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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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)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)CC=C)CN3CCCCC3

InChI

InChI=1S/C22H28FN3O3/c1-3-12-26-18(15-25-13-6-5-7-14-25)19(21(27)29-4-2)20(24-22(26)28)16-8-10-17(23)11-9-16/h3,8-11,20H,1,4-7,12-15H2,2H3,(H,24,28)