1-[2-[cyclohexyl-(3,4-dichlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid hydrochloride

Systemtic Name: 1-[2-[cyclohexyl-(3,4-dichlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid hydrochloride Openeye Name: 1-[2-[cyclohexyl-(3,4-dichlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid hydrochloride CAS Name: 1-[2-[cyclohexyl-(3,4-dichlorophenyl)methoxy]ethyl]-3-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-[2-[cyclohexyl-(3,4-dichlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid hydrochloride Traditional Name: 1-[2-[cyclohexyl-(3,4-dichlorophenyl)methoxy]ethyl]nipecotic acid hydrochloride Formula: C21H30Cl3NO3 MolecularWeight: 450.8268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC(=C(C=C2)Cl)Cl)OCCN3CCCC(C3)C(=O)O.Cl

Isomeric SMILES

C1CCC(CC1)C(C2=CC(=C(C=C2)Cl)Cl)OCCN3CCCC(C3)C(=O)O.Cl

InChI

InChI=1S/C21H29Cl2NO3.ClH/c22-18-9-8-16(13-19(18)23)20(15-5-2-1-3-6-15)27-12-11-24-10-4-7-17(14-24)21(25)26;/h8-9,13,15,17,20H,1-7,10-12,14H2,(H,25,26);1H