4-[(3-chloranylpyridin-4-yl)methyl-(3-cyclopentyloxy-4-methoxy-phenyl)amino]benzoic acid

Systemtic Name: 4-[(3-chloranylpyridin-4-yl)methyl-(3-cyclopentyloxy-4-methoxy-phenyl)amino]benzoic acid Openeye Name: 4-[N-[(3-chloro-4-pyridyl)methyl]-3-(cyclopentoxy)-4-methoxy-anilino]benzoic acid CAS Name: 4-[N-[(3-chloro-4-pyridinyl)methyl]-3-cyclopentyloxy-4-methoxyanilino]benzoic acid IUPAC Name: 4-[N-[(3-chloropyridin-4-yl)methyl]-3-cyclopentyloxy-4-methoxyanilino]benzoic acid Traditional Name: 4-[N-[(3-chloro-4-pyridyl)methyl]-3-(cyclopentoxy)-4-methoxy-anilino]benzoic acid Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=C(C=NC=C2)Cl)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=C(C=NC=C2)Cl)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C25H25ClN2O4/c1-31-23-11-10-20(14-24(23)32-21-4-2-3-5-21)28(16-18-12-13-27-15-22(18)26)19-8-6-17(7-9-19)25(29)30/h6-15,21H,2-5,16H2,1H3,(H,29,30)