[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-2-28-21-19(9-6-12-23-21)22(27)29-16-20(26)24-18-10-13-25(14-11-18)15-17-7-4-3-5-8-17/h3-9,12,18H,2,10-11,13-16H2,1H3,(H,24,26)