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

Systemtic Name: 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]-4-propoxy-2H-1-benzofuran-2-carboxylic acid Openeye Name: 3-[tert-butoxycarbonyl(3-pyridylmethyl)amino]-3-methyl-4-propoxy-2H-benzofuran-2-carboxylic acid CAS Name: 3-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(3-pyridinylmethyl)amino]-4-propoxy-2H-benzofuran-2-carboxylic acid IUPAC Name: 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]-4-propoxy-2H-1-benzofuran-2-carboxylic acid Traditional Name: 3-[tert-butoxycarbonyl(3-pyridylmethyl)amino]-3-methyl-4-propoxy-coumaran-2-carboxylic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(CC3=CN=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(CC3=CN=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H30N2O6/c1-6-13-30-17-10-7-11-18-19(17)24(5,20(31-18)21(27)28)26(22(29)32-23(2,3)4)15-16-9-8-12-25-14-16/h7-12,14,20H,6,13,15H2,1-5H3,(H,27,28)