ethyl 4-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(4-chloro-2-methyl-benzoyl)piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)C3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)C3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C21H29ClN2O3/c1-3-27-21(26)23-11-8-18(9-12-23)24-10-4-5-16(14-24)20(25)19-7-6-17(22)13-15(19)2/h6-7,13,16,18H,3-5,8-12,14H2,1-2H3