ethyl 1-(2-chloranylpyridin-4-yl)carbonyl-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-chloranylpyridin-4-yl)carbonyl-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl 1-(2-chloropyridine-4-carbonyl)-3-phenethyl-piperidine-3-carboxylate CAS Name: 1-[(2-chloro-4-pyridinyl)-oxomethyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloropyridine-4-carbonyl)-3-phenethylpiperidine-3-carboxylate Traditional Name: 1-(2-chloroisonicotinoyl)-3-phenethyl-nipecotic acid ethyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NC=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NC=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O3/c1-2-28-21(27)22(12-9-17-7-4-3-5-8-17)11-6-14-25(16-22)20(26)18-10-13-24-19(23)15-18/h3-5,7-8,10,13,15H,2,6,9,11-12,14,16H2,1H3