ethyl 2-[[4-[(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)amino]piperidin-1-yl]methyl]pyridine-4-carboxylate

Systemtic Name: ethyl 2-[[4-[(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)amino]piperidin-1-yl]methyl]pyridine-4-carboxylate Openeye Name: ethyl 2-[[4-[(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)amino]-1-piperidyl]methyl]pyridine-4-carboxylate CAS Name: 2-[[4-[(2-cyclopentyl-2-hydroxy-1-oxo-2-phenylethyl)amino]-1-piperidinyl]methyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidin-1-yl]methyl]pyridine-4-carboxylate Traditional Name: 2-[[4-[(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)amino]piperidino]methyl]isonicotinic acid ethyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC=C1)CN2CCC(CC2)NC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1)CN2CCC(CC2)NC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H35N3O4/c1-2-34-25(31)20-12-15-28-24(18-20)19-30-16-13-23(14-17-30)29-26(32)27(33,22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12,15,18,22-23,33H,2,6-7,10-11,13-14,16-17,19H2,1H3,(H,29,32)