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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=CC=C2F)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=CC=C2F)N3CCCC(C3)C(=O)O

InChI

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