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

Systemtic Name: 3-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-methoxy-N-(3-pyridylmethyl)-3-tetrahydrofuran-3-yloxy-anilino]benzoic acid CAS Name: 3-[4-methoxy-3-(3-oxolanyloxy)-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-methoxy-N-(3-pyridylmethyl)-3-tetrahydrofuran-3-yloxy-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)OC4CCOC4

Isomeric SMILES

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

InChI

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