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

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl] methanesulfonate Openeye Name: [3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)COS(=O)(=O)C

InChI

InChI=1S/C22H29NO6S/c1-22(2,3)29-21(24)23-19(16-28-30(4,25)26)14-17-10-12-20(13-11-17)27-15-18-8-6-5-7-9-18/h5-13,19H,14-16H2,1-4H3,(H,23,24)