3-[[4-methoxy-3-(4H-pyran-4-yloxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[[4-methoxy-3-(4H-pyran-4-yloxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-methoxy-3-(4H-pyran-4-yloxy)-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[4-methoxy-3-(4H-pyran-4-yloxy)-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-methoxy-3-(4H-pyran-4-yloxy)-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-methoxy-3-(4H-pyran-4-yloxy)-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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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)OC4C=COC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4C=COC=C4

InChI

InChI=1S/C25H22N2O5/c1-30-23-8-7-21(15-24(23)32-22-9-12-31-13-10-22)27(17-18-4-3-11-26-16-18)20-6-2-5-19(14-20)25(28)29/h2-16,22H,17H2,1H3,(H,28,29)