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

Systemtic Name: 3-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-methoxy-3-[2-(2-pyridyl)ethoxy]-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[4-methoxy-3-[2-(2-pyridinyl)ethoxy]-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-methoxy-3-(2-pyridin-2-ylethoxy)-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-methoxy-3-[2-(2-pyridyl)ethoxy]-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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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)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OCCC4=CC=CC=N4

InChI

InChI=1S/C27H25N3O4/c1-33-25-11-10-24(17-26(25)34-15-12-22-8-2-3-14-29-22)30(19-20-6-5-13-28-18-20)23-9-4-7-21(16-23)27(31)32/h2-11,13-14,16-18H,12,15,19H2,1H3,(H,31,32)