ethyl 5-[[[(3S)-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidin-3-yl]carbonylamino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[[(3S)-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidin-3-yl]carbonylamino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[[(3S)-6-oxo-1-[2-(2-pyridyl)ethyl]piperidine-3-carbonyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[oxo-[(3S)-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinyl]methyl]amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[(3S)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[(3S)-6-keto-1-[2-(2-pyridyl)ethyl]nipecotoyl]amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CNC(=O)[C@H]2CCC(=O)N(C2)CCC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O5/c1-2-28-21(27)18-8-7-17(29-18)13-23-20(26)15-6-9-19(25)24(14-15)12-10-16-5-3-4-11-22-16/h3-5,7-8,11,15H,2,6,9-10,12-14H2,1H3,(H,23,26)/t15-/m0/s1