3-[[5-methoxy-6-(oxolan-3-yloxy)pyridin-2-yl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[[5-methoxy-6-(oxolan-3-yloxy)pyridin-2-yl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[(5-methoxy-6-tetrahydrofuran-3-yloxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[[5-methoxy-6-(3-oxolanyloxy)-2-pyridinyl]-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-[[5-methoxy-6-(oxolan-3-yloxy)pyridin-2-yl]-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-[(5-methoxy-6-tetrahydrofuran-3-yloxy-2-pyridyl)-(3-pyridylmethyl)amino]benzoic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCOC4

Isomeric SMILES

COC1=C(N=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCOC4

InChI

InChI=1S/C23H23N3O5/c1-29-20-7-8-21(25-22(20)31-19-9-11-30-15-19)26(14-16-4-3-10-24-13-16)18-6-2-5-17(12-18)23(27)28/h2-8,10,12-13,19H,9,11,14-15H2,1H3,(H,27,28)