3-[[4-methoxy-3-(3-oxidanylcyclopentyl)oxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[[4-methoxy-3-(3-oxidanylcyclopentyl)oxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-(3-hydroxycyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-(3-hydroxycyclopentyl)oxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-(3-hydroxycyclopentyl)oxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(3-hydroxycyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCC(C4)O

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCC(C4)O

InChI

InChI=1S/C25H26N2O5/c1-31-23-10-7-20(13-24(23)32-22-9-8-21(28)14-22)27(16-17-4-3-11-26-15-17)19-6-2-5-18(12-19)25(29)30/h2-7,10-13,15,21-22,28H,8-9,14,16H2,1H3,(H,29,30)