3-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 4-[3-[tert-butoxycarbonyl(3-pyridylmethyl)amino]propoxy]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(3-pyridinylmethyl)amino]propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 4-[3-[tert-butoxycarbonyl(3-pyridylmethyl)amino]propoxy]-3-methyl-coumarilic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6/c1-16-20-18(9-5-10-19(20)31-21(16)22(27)28)30-13-7-12-26(23(29)32-24(2,3)4)15-17-8-6-11-25-14-17/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,27,28)