4-[2,3-dihydro-1-benzofuran-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[2,3-dihydro-1-benzofuran-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl 4-methylbenzenesulfonate Openeye Name: 4-[tert-butoxycarbonyl(2,3-dihydrobenzofuran-2-ylmethyl)amino]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[2,3-dihydrobenzofuran-2-ylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl ester IUPAC Name: 4-[2,3-dihydro-1-benzofuran-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[tert-butoxycarbonyl(coumaran-2-ylmethyl)amino]butyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(CC2CC3=CC=CC=C3O2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(CC2CC3=CC=CC=C3O2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33NO6S/c1-19-11-13-22(14-12-19)33(28,29)30-16-8-7-15-26(24(27)32-25(2,3)4)18-21-17-20-9-5-6-10-23(20)31-21/h5-6,9-14,21H,7-8,15-18H2,1-4H3