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

Systemtic Name: ethyl 1-[(3-methoxyphenyl)-[6-methyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-hydroxy-6-methyl-4-oxo-1-(2-pyridylmethyl)-3-pyridyl]-(3-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[2-hydroxy-6-methyl-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]-(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-hydroxy-6-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridin-3-yl]-(3-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-hydroxy-4-keto-6-methyl-1-(2-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=CC=CC=N4)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC(=CC=C2)OC)C3=C(N(C(=CC3=O)C)CC4=CC=CC=N4)O

InChI

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