2-[diethyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonyl-azaniumyl]pentanedioate

Systemtic Name: 2-[diethyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonyl-azaniumyl]pentanedioate Openeye Name: 2-[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]-diethyl-ammonio]pentanedioate CAS Name: 2-[diethyl-[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]ammonio]pentanedioate IUPAC Name: 2-[diethyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]azaniumyl]pentanedioate Traditional Name: 2-[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]-diethyl-ammonio]glutarate Formula: C22H31N2O7- MolecularWeight: 435.49074

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC[N+](CC)(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O7/c1-6-24(7-2,17(20(28)29)12-13-18(25)26)19(27)16-10-8-15(9-11-16)14-23-21(30)31-22(3,4)5/h8-11,17H,6-7,12-14H2,1-5H3,(H2-,23,25,26,28,29,30)/p-1