3-[(2-chloranyl-5-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(2-chloranyl-5-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[2-chloro-5-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[2-chloro-5-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[2-chloro-5-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[2-chloro-5-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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