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

Systemtic Name: 3-[(3-chloranylpyridin-4-yl)methyl-(3-cyclopentyloxy-4-methoxy-phenyl)amino]benzoic acid Openeye Name: 3-[N-[(3-chloro-4-pyridyl)methyl]-3-(cyclopentoxy)-4-methoxy-anilino]benzoic acid CAS Name: 3-[N-[(3-chloro-4-pyridinyl)methyl]-3-cyclopentyloxy-4-methoxyanilino]benzoic acid IUPAC Name: 3-[N-[(3-chloropyridin-4-yl)methyl]-3-cyclopentyloxy-4-methoxyanilino]benzoic acid Traditional Name: 3-[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=CC(=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O4/c1-31-23-10-9-20(14-24(23)32-21-7-2-3-8-21)28(16-18-11-12-27-15-22(18)26)19-6-4-5-17(13-19)25(29)30/h4-6,9-15,21H,2-3,7-8,16H2,1H3,(H,29,30)