1-[(3-fluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-fluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-fluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-fluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)OC)OC

InChI

InChI=1S/C22H26FNO5/c1-27-18-8-7-17(20(28-2)21(18)29-3)19(15-5-4-6-16(23)13-15)24-11-9-14(10-12-24)22(25)26/h4-8,13-14,19H,9-12H2,1-3H3,(H,25,26)