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

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-chlorophenyl)-4-[(4-ethoxycarbonyl-1-piperidyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-4-[(4-ethoxycarbonyl-1-piperidinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-carbethoxypiperidino)methyl]-6-(4-chlorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H32ClN3O5 MolecularWeight: 489.99168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN3O5/c1-4-13-29-20(16-28-14-11-18(12-15-28)23(30)33-5-2)21(24(31)34-6-3)22(27-25(29)32)17-7-9-19(26)10-8-17/h4,7-10,18,22H,1,5-6,11-16H2,2-3H3,(H,27,32)