1-[(4-fluorophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-fluorophenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-fluorophenyl)-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C25H24FNO3 MolecularWeight: 405.461363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)F)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)F)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24FNO3/c26-21-11-9-18(10-12-21)24(27-15-13-19(14-16-27)25(28)29)20-5-4-8-23(17-20)30-22-6-2-1-3-7-22/h1-12,17,19,24H,13-16H2,(H,28,29)