1-[(3,5-dimethylphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]pipecolinic acid Formula: C22H26FNO3 MolecularWeight: 371.445143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C22H26FNO3/c1-14-10-15(2)12-17(11-14)21(16-7-8-20(27-3)18(23)13-16)24-9-5-4-6-19(24)22(25)26/h7-8,10-13,19,21H,4-6,9H2,1-3H3,(H,25,26)