4-[4-[(4-methoxyphenyl)methoxycarbonylamino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[4-[(4-methoxyphenyl)methoxycarbonylamino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl 4-methylbenzenesulfonate Openeye Name: 4-[tert-butoxycarbonyl-[4-[(4-methoxyphenyl)methoxycarbonylamino]butyl]amino]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[4-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]butyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl ester IUPAC Name: 4-[4-[(4-methoxyphenyl)methoxycarbonylamino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[tert-butoxycarbonyl-[4-(p-anisyloxycarbonylamino)butyl]amino]butyl ester Formula: C29H42N2O8S MolecularWeight: 578.71738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(CCCCNC(=O)OCC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(CCCCNC(=O)OCC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H42N2O8S/c1-23-10-16-26(17-11-23)40(34,35)38-21-9-8-20-31(28(33)39-29(2,3)4)19-7-6-18-30-27(32)37-22-24-12-14-25(36-5)15-13-24/h10-17H,6-9,18-22H2,1-5H3,(H,30,32)