ethyl 1-[(3-chlorophenyl)-[6-methyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-chlorophenyl)-[6-methyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-chlorophenyl)-[2-hydroxy-6-methyl-4-oxo-1-(3-pyridylmethyl)-3-pyridyl]methyl]piperidine-4-carboxylate CAS Name: 1-[(3-chlorophenyl)-[2-hydroxy-6-methyl-4-oxo-1-(3-pyridinylmethyl)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chlorophenyl)-[2-hydroxy-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-chlorophenyl)-[2-hydroxy-4-keto-6-methyl-1-(3-pyridylmethyl)-3-pyridyl]methyl]isonipecotic acid ethyl ester Formula: C27H30ClN3O4 MolecularWeight: 495.9978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC(=CC=C2)Cl)C3=C(N(C(=CC3=O)C)CC4=CN=CC=C4)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC(=CC=C2)Cl)C3=C(N(C(=CC3=O)C)CC4=CN=CC=C4)O

InChI

InChI=1S/C27H30ClN3O4/c1-3-35-27(34)20-9-12-30(13-10-20)25(21-7-4-8-22(28)15-21)24-23(32)14-18(2)31(26(24)33)17-19-6-5-11-29-16-19/h4-8,11,14-16,20,25,33H,3,9-10,12-13,17H2,1-2H3