ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(3-phenylpiperidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(3-phenylpiperidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(3-phenyl-1-piperidyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[(3-phenyl-1-piperidinyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(3-phenylpiperidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[(3-phenylpiperidino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CCCC(C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CCCC(C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28ClN3O3/c1-2-32-24(30)22-21(27-25(31)28-23(22)18-10-12-20(26)13-11-18)16-29-14-6-9-19(15-29)17-7-4-3-5-8-17/h3-5,7-8,10-13,19,23H,2,6,9,14-16H2,1H3,(H2,27,28,31)