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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]nipecotic 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=C2C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H21BrF3NO3/c1-29-18-9-8-14(22)11-16(18)19(26-10-4-5-13(12-26)20(27)28)15-6-2-3-7-17(15)21(23,24)25/h2-3,6-9,11,13,19H,4-5,10,12H2,1H3,(H,27,28)