4-[(3-cyclopentyloxy-4-methoxy-phenyl)-[(5-fluoranyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]amino]benzoic acid

Systemtic Name: 4-[(3-cyclopentyloxy-4-methoxy-phenyl)-[(5-fluoranyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]amino]benzoic acid Openeye Name: 4-[3-(cyclopentoxy)-N-[(5-fluoro-1-oxido-pyridin-1-ium-3-yl)methyl]-4-methoxy-anilino]benzoic acid CAS Name: 4-[3-cyclopentyloxy-N-[(5-fluoro-1-oxido-3-pyridin-1-iumyl)methyl]-4-methoxyanilino]benzoic acid IUPAC Name: 4-[3-cyclopentyloxy-N-[(5-fluoro-1-oxidopyridin-1-ium-3-yl)methyl]-4-methoxyanilino]benzoic acid Traditional Name: 4-[3-(cyclopentoxy)-N-[(5-fluoro-1-oxido-pyridin-1-ium-3-yl)methyl]-4-methoxy-anilino]benzoic acid Formula: C25H25FN2O5 MolecularWeight: 452.474803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CC(=C[N+](=C2)[O-])F)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CC(=C[N+](=C2)[O-])F)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C25H25FN2O5/c1-32-23-11-10-21(13-24(23)33-22-4-2-3-5-22)28(15-17-12-19(26)16-27(31)14-17)20-8-6-18(7-9-20)25(29)30/h6-14,16,22H,2-5,15H2,1H3,(H,29,30)