1-[(3-fluoranyl-4-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-methoxyphenyl)methyl]nipecotic acid Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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