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

Systemtic Name: ethyl 1-[(S)-[1-(2-methoxyethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]-pyridin-2-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(S)-[2-hydroxy-1-(2-methoxyethyl)-6-methyl-4-oxo-3-pyridyl]-(2-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(S)-[2-hydroxy-1-(2-methoxyethyl)-6-methyl-4-oxo-3-pyridinyl]-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(S)-[2-hydroxy-1-(2-methoxyethyl)-6-methyl-4-oxopyridin-3-yl]-pyridin-2-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(S)-[2-hydroxy-4-keto-1-(2-methoxyethyl)-6-methyl-3-pyridyl]-(2-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=N2)C3=C(N(C(=CC3=O)C)CCOC)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)[C@H](C2=CC=CC=N2)C3=C(N(C(=CC3=O)C)CCOC)O

InChI

InChI=1S/C23H31N3O5/c1-4-31-23(29)17-8-11-25(12-9-17)21(18-7-5-6-10-24-18)20-19(27)15-16(2)26(22(20)28)13-14-30-3/h5-7,10,15,17,21,28H,4,8-9,11-14H2,1-3H3/t21-/m1/s1