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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=C(C=CC(=C2)F)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H27FN2O3/c1-24(2)18-9-6-15(7-10-18)21(19-13-17(23)8-11-20(19)28-3)25-12-4-5-16(14-25)22(26)27/h6-11,13,16,21H,4-5,12,14H2,1-3H3,(H,26,27)