ethyl 1-[4-(3-chloranylphenoxy)-2-phenyl-pyrimidin-5-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(3-chloranylphenoxy)-2-phenyl-pyrimidin-5-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-chlorophenoxy)-2-phenyl-pyrimidine-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3-chlorophenoxy)-2-phenyl-5-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-chlorophenoxy)-2-phenylpyrimidine-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-chlorophenoxy)-2-phenyl-pyrimidine-5-carbonyl]isonipecotic acid ethyl ester Formula: C25H24ClN3O4 MolecularWeight: 465.92876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(N=C2OC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(N=C2OC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O4/c1-2-32-25(31)18-11-13-29(14-12-18)24(30)21-16-27-22(17-7-4-3-5-8-17)28-23(21)33-20-10-6-9-19(26)15-20/h3-10,15-16,18H,2,11-14H2,1H3