3-[[3-(2-cyclobutylethoxy)-4-methoxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[[3-(2-cyclobutylethoxy)-4-methoxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-(2-cyclobutylethoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-(2-cyclobutylethoxy)-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-(2-cyclobutylethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(2-cyclobutylethoxy)-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)OCCC4CCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OCCC4CCC4

InChI

InChI=1S/C26H28N2O4/c1-31-24-11-10-23(16-25(24)32-14-12-19-5-2-6-19)28(18-20-7-4-13-27-17-20)22-9-3-8-21(15-22)26(29)30/h3-4,7-11,13,15-17,19H,2,5-6,12,14,18H2,1H3,(H,29,30)