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

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)COC(=O)C2=C(N=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)COC(=O)C2=C(N=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O3/c21-19-17(7-4-10-22-19)20(26)27-14-18(25)23-16-8-11-24(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2,(H,23,25)