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

Systemtic Name: 3-[[2-(ethoxymethyl)-3-methyl-1-benzofuran-4-yl]oxy]propyl-(pyridin-3-ylmethyl)carbamic acid Openeye Name: 3-[2-(ethoxymethyl)-3-methyl-benzofuran-4-yl]oxypropyl-(3-pyridylmethyl)carbamic acid CAS Name: 3-[[2-(ethoxymethyl)-3-methyl-4-benzofuranyl]oxy]propyl-(3-pyridinylmethyl)carbamic acid IUPAC Name: 3-[[2-(ethoxymethyl)-3-methyl-1-benzofuran-4-yl]oxy]propyl-(pyridin-3-ylmethyl)carbamic acid Traditional Name: 3-[2-(ethoxymethyl)-3-methyl-benzofuran-4-yl]oxypropyl-(3-pyridylmethyl)carbamic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C2=C(O1)C=CC=C2OCCCN(CC3=CN=CC=C3)C(=O)O)C

Isomeric SMILES

CCOCC1=C(C2=C(O1)C=CC=C2OCCCN(CC3=CN=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H26N2O5/c1-3-27-15-20-16(2)21-18(8-4-9-19(21)29-20)28-12-6-11-24(22(25)26)14-17-7-5-10-23-13-17/h4-5,7-10,13H,3,6,11-12,14-15H2,1-2H3,(H,25,26)