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

Systemtic Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(3-ethoxycarbonyl-1-piperidyl)methyl]-6-(3-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-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-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(3-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)C1CCCN(C1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=CC=C3)F)C(=O)OCC

InChI

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