4-[[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonyl-amino]methyl]benzoic acid Openeye Name: 4-[[benzyloxycarbonyl-[benzyloxycarbonyl(methyl)amino]amino]methyl]benzoic acid CAS Name: 4-[[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]methyl]benzoic acid IUPAC Name: 4-[[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]methyl]benzoic acid Traditional Name: 4-[[carbobenzoxy-[carbobenzoxy(methyl)amino]amino]methyl]benzoic acid Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)OCC1=CC=CC=C1)N(CC2=CC=C(C=C2)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C(=O)OCC1=CC=CC=C1)N(CC2=CC=C(C=C2)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6/c1-26(24(30)32-17-20-8-4-2-5-9-20)27(16-19-12-14-22(15-13-19)23(28)29)25(31)33-18-21-10-6-3-7-11-21/h2-15H,16-18H2,1H3,(H,28,29)