[3-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-3-(3,4-dimethoxyphenyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(3,4-dimethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-3-(3,4-dimethoxyphenyl)propyl] ester Formula: C23H31NO7S MolecularWeight: 465.55974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC(=C(C=C2)OC)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC(=C(C=C2)OC)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H31NO7S/c1-16-7-10-19(11-8-16)32(26,27)30-15-18(24-22(25)31-23(2,3)4)13-17-9-12-20(28-5)21(14-17)29-6/h7-12,14,18H,13,15H2,1-6H3,(H,24,25)