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

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

Systemtic Name:4-[3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-3-methyl-1-benzofuran-2-carboxylic acid
Openeye Name:4-[3-[tert-butoxycarbonyl(tert-butyl)amino]propoxy]-3-methyl-benzofuran-2-carboxylic acid
CAS Name:4-[3-[tert-butyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]-3-methyl-2-benzofurancarboxylic acid
IUPAC Name:4-[3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-3-methyl-1-benzofuran-2-carboxylic acid
Traditional Name:4-[3-[tert-butoxycarbonyl(tert-butyl)amino]propoxy]-3-methyl-coumarilic acid
Formula: C22H31NO6
MolecularWeight: 405.48464
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H31NO6/c1-14-17-15(10-8-11-16(17)28-18(14)19(24)25)27-13-9-12-23(21(2,3)4)20(26)29-22(5,6)7/h8,10-11H,9,12-13H2,1-7H3,(H,24,25)


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