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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-3-(3,4-dimethoxyphenyl)propyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [2-(tert-butoxycarbonylamino)-3-(3,4-dimethoxyphenyl)propyl] ester Formula: C17H27NO7S MolecularWeight: 389.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OC)OC)COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OC)OC)COS(=O)(=O)C

InChI

InChI=1S/C17H27NO7S/c1-17(2,3)25-16(19)18-13(11-24-26(6,20)21)9-12-7-8-14(22-4)15(10-12)23-5/h7-8,10,13H,9,11H2,1-6H3,(H,18,19)