4-[[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-4-yl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-4-yl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)benzofuran-4-yl]-(3-pyridylmethyl)amino]benzoic acid CAS Name: 4-[[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-4-benzofuranyl]-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 4-[[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-4-yl]-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 4-[[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)benzofuran-4-yl]-(3-pyridylmethyl)amino]benzoic acid Formula: C26H24N2O6 MolecularWeight: 460.47856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)C2=CC3=C(C=CC(=C3O2)OC)N(CC4=CN=CC=C4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1(OCCO1)C2=CC3=C(C=CC(=C3O2)OC)N(CC4=CN=CC=C4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H24N2O6/c1-26(32-12-13-33-26)23-14-20-21(9-10-22(31-2)24(20)34-23)28(16-17-4-3-11-27-15-17)19-7-5-18(6-8-19)25(29)30/h3-11,14-15H,12-13,16H2,1-2H3,(H,29,30)