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

Systemtic Name: 3-[tert-butyl(phenylmethoxycarbonyl)amino]-3-methyl-4-propoxy-2H-1-benzofuran-2-carboxylic acid Openeye Name: 3-[benzyloxycarbonyl(tert-butyl)amino]-3-methyl-4-propoxy-2H-benzofuran-2-carboxylic acid CAS Name: 3-[tert-butyl(phenylmethoxycarbonyl)amino]-3-methyl-4-propoxy-2H-benzofuran-2-carboxylic acid IUPAC Name: 3-[tert-butyl(phenylmethoxycarbonyl)amino]-3-methyl-4-propoxy-2H-1-benzofuran-2-carboxylic acid Traditional Name: 3-[tert-butyl(carbobenzoxy)amino]-3-methyl-4-propoxy-coumaran-2-carboxylic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(C(=O)OCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=CC2=C1C(C(O2)C(=O)O)(C)N(C(=O)OCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C25H31NO6/c1-6-15-30-18-13-10-14-19-20(18)25(5,21(32-19)22(27)28)26(24(2,3)4)23(29)31-16-17-11-8-7-9-12-17/h7-14,21H,6,15-16H2,1-5H3,(H,27,28)