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

Systemtic Name: ethyl (3S)-1-(2-chloranylpyridin-4-yl)carbonyl-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-chloropyridine-4-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2-chloro-4-pyridinyl)-oxomethyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-chloropyridine-4-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-chloroisonicotinoyl)-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NC=C2)Cl)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC(=NC=C2)Cl)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O4/c1-2-28-21(27)22(11-14-29-18-7-4-3-5-8-18)10-6-13-25(16-22)20(26)17-9-12-24-19(23)15-17/h3-5,7-9,12,15H,2,6,10-11,13-14,16H2,1H3/t22-/m0/s1