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

Systemtic Name: 4-[3-[tert-butyl(phenylmethoxycarbonyl)amino]propoxy]-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-[3-[benzyloxycarbonyl(tert-butyl)amino]propoxy]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 4-[3-[tert-butyl(phenylmethoxycarbonyl)amino]propoxy]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 4-[3-[tert-butyl(phenylmethoxycarbonyl)amino]propoxy]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 4-[3-[tert-butyl(carbobenzoxy)amino]propoxy]-3-methyl-coumarilic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCN(C(=O)OCC3=CC=CC=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCN(C(=O)OCC3=CC=CC=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C25H29NO6/c1-17-21-19(12-8-13-20(21)32-22(17)23(27)28)30-15-9-14-26(25(2,3)4)24(29)31-16-18-10-6-5-7-11-18/h5-8,10-13H,9,14-16H2,1-4H3,(H,27,28)