4-[carboxymethyl-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonyl-amino]benzoic acid

Systemtic Name: 4-[carboxymethyl-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonyl-amino]benzoic acid Openeye Name: 4-[[3-[(tert-butoxycarbonylamino)methyl]benzoyl]-(carboxymethyl)amino]benzoic acid CAS Name: 4-[carboxymethyl-[[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[carboxymethyl-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[(tert-butoxycarbonylamino)methyl]benzoyl]-(carboxymethyl)amino]benzoic acid Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H24N2O7/c1-22(2,3)31-21(30)23-12-14-5-4-6-16(11-14)19(27)24(13-18(25)26)17-9-7-15(8-10-17)20(28)29/h4-11H,12-13H2,1-3H3,(H,23,30)(H,25,26)(H,28,29)