3-[[2-(hydroxymethyl)-3-methyl-1-benzofuran-4-yl]oxy]propyl-(pyridin-3-ylmethyl)carbamic acid

Systemtic Name: 3-[[2-(hydroxymethyl)-3-methyl-1-benzofuran-4-yl]oxy]propyl-(pyridin-3-ylmethyl)carbamic acid Openeye Name: 3-[2-(hydroxymethyl)-3-methyl-benzofuran-4-yl]oxypropyl-(3-pyridylmethyl)carbamic acid CAS Name: 3-[[2-(hydroxymethyl)-3-methyl-4-benzofuranyl]oxy]propyl-(3-pyridinylmethyl)carbamic acid IUPAC Name: 3-[[2-(hydroxymethyl)-3-methyl-1-benzofuran-4-yl]oxy]propyl-(pyridin-3-ylmethyl)carbamic acid Traditional Name: 3-(3-methyl-2-methylol-benzofuran-4-yl)oxypropyl-(3-pyridylmethyl)carbamic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCN(CC3=CN=CC=C3)C(=O)O)CO

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCN(CC3=CN=CC=C3)C(=O)O)CO

InChI

InChI=1S/C20H22N2O5/c1-14-18(13-23)27-17-7-2-6-16(19(14)17)26-10-4-9-22(20(24)25)12-15-5-3-8-21-11-15/h2-3,5-8,11,23H,4,9-10,12-13H2,1H3,(H,24,25)