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

Systemtic Name: ethyl 4-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-ethoxycarbonyl-1-piperidyl)methyl]-6-(3-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-ethoxycarbonyl-1-piperidinyl)methyl]-6-(3-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-carbethoxypiperidino)methyl]-6-(3-fluorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H32FN3O5 MolecularWeight: 473.537083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C25H32FN3O5/c1-4-12-29-20(16-28-13-10-17(11-14-28)23(30)33-5-2)21(24(31)34-6-3)22(27-25(29)32)18-8-7-9-19(26)15-18/h4,7-9,15,17,22H,1,5-6,10-14,16H2,2-3H3,(H,27,32)