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

Systemtic Name: ethyl 1-[(3-methoxyphenyl)-[6-methyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-hydroxy-6-methyl-4-oxo-1-(3-pyridylmethyl)-3-pyridyl]-(3-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[2-hydroxy-6-methyl-4-oxo-1-(3-pyridinylmethyl)-3-pyridinyl]-(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-hydroxy-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridin-3-yl]-(3-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-hydroxy-4-keto-6-methyl-1-(3-pyridylmethyl)-3-pyridyl]-(3-methoxyphenyl)methyl]isonipecotic acid ethyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O5/c1-4-36-28(34)21-10-13-30(14-11-21)26(22-8-5-9-23(16-22)35-3)25-24(32)15-19(2)31(27(25)33)18-20-7-6-12-29-17-20/h5-9,12,15-17,21,26,33H,4,10-11,13-14,18H2,1-3H3