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

Systemtic Name: 3-[[4-methoxy-3-(oxolan-2-yloxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-methoxy-N-(3-pyridylmethyl)-3-tetrahydrofuran-2-yloxy-anilino]benzoic acid CAS Name: 3-[4-methoxy-3-(2-oxolanyloxy)-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-methoxy-N-(3-pyridylmethyl)-3-(tetrahydrofuryloxy)anilino]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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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)OC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCO4

InChI

InChI=1S/C24H24N2O5/c1-29-21-10-9-20(14-22(21)31-23-8-4-12-30-23)26(16-17-5-3-11-25-15-17)19-7-2-6-18(13-19)24(27)28/h2-3,5-7,9-11,13-15,23H,4,8,12,16H2,1H3,(H,27,28)