1-[(3-fluoranyl-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C23H28FNO6 MolecularWeight: 433.469923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO6/c1-28-18-6-5-15(11-17(18)24)21(25-9-7-14(8-10-25)23(26)27)16-12-19(29-2)22(31-4)20(13-16)30-3/h5-6,11-14,21H,7-10H2,1-4H3,(H,26,27)