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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]pipecolinic acid Formula: C22H27FN2O3 MolecularWeight: 386.459783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O3/c1-24(2)17-10-7-15(8-11-17)21(18-14-16(23)9-12-20(18)28-3)25-13-5-4-6-19(25)22(26)27/h7-12,14,19,21H,4-6,13H2,1-3H3,(H,26,27)