1-[(5-bromanyl-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C21H21BrF3NO3 MolecularWeight: 472.29555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H21BrF3NO3/c1-29-18-9-8-15(22)12-16(18)19(26-10-3-2-7-17(26)20(27)28)13-5-4-6-14(11-13)21(23,24)25/h4-6,8-9,11-12,17,19H,2-3,7,10H2,1H3,(H,27,28)