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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-fluorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3-fluorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-fluorophenyl)methyl]pipecolinic acid Formula: C20H21BrFNO3 MolecularWeight: 422.288043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFNO3/c1-26-18-9-8-14(21)12-16(18)19(13-5-4-6-15(22)11-13)23-10-3-2-7-17(23)20(24)25/h4-6,8-9,11-12,17,19H,2-3,7,10H2,1H3,(H,24,25)