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

Systemtic Name: 3-[(3-cyclohexyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-(cyclohexoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-cyclohexyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-cyclohexyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(cyclohexoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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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)OC4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCCC4

InChI

InChI=1S/C26H28N2O4/c1-31-24-13-12-22(16-25(24)32-23-10-3-2-4-11-23)28(18-19-7-6-14-27-17-19)21-9-5-8-20(15-21)26(29)30/h5-9,12-17,23H,2-4,10-11,18H2,1H3,(H,29,30)