1-[(2,5-dimethoxyphenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(2-fluorophenyl)methyl]nipecotic acid Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC=CC=C2F)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC=CC=C2F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H24FNO4/c1-26-15-9-10-19(27-2)17(12-15)20(16-7-3-4-8-18(16)22)23-11-5-6-14(13-23)21(24)25/h3-4,7-10,12,14,20H,5-6,11,13H2,1-2H3,(H,24,25)