1-[2-[bis(4-chloranyl-2-methyl-phenyl)methoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[bis(4-chloranyl-2-methyl-phenyl)methoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[bis(4-chloro-2-methyl-phenyl)methoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[bis(4-chloro-2-methylphenyl)methoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[bis(4-chloro-2-methylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[bis(4-chloro-2-methyl-phenyl)methoxy]ethyl]nipecotic acid Formula: C23H27Cl2NO3 MolecularWeight: 436.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(C2=C(C=C(C=C2)Cl)C)OCCN3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(C2=C(C=C(C=C2)Cl)C)OCCN3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H27Cl2NO3/c1-15-12-18(24)5-7-20(15)22(21-8-6-19(25)13-16(21)2)29-11-10-26-9-3-4-17(14-26)23(27)28/h5-8,12-13,17,22H,3-4,9-11,14H2,1-2H3,(H,27,28)