1-[(5-chloranyl-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C21H21ClF3NO3 MolecularWeight: 427.84455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H21ClF3NO3/c1-29-18-7-6-14(22)12-16(18)19(26-10-8-13(9-11-26)20(27)28)15-4-2-3-5-17(15)21(23,24)25/h2-7,12-13,19H,8-11H2,1H3,(H,27,28)