4-[[4-carboxylato-3-(2,2-diphenylethanoylamino)phenyl]methyl]-2-(2,2-diphenylethanoylamino)benzoate

Systemtic Name: 4-[[4-carboxylato-3-(2,2-diphenylethanoylamino)phenyl]methyl]-2-(2,2-diphenylethanoylamino)benzoate Openeye Name: 4-[[4-carboxylato-3-[(2,2-diphenylacetyl)amino]phenyl]methyl]-2-[(2,2-diphenylacetyl)amino]benzoate CAS Name: 4-[[4-carboxylato-3-[(1-oxo-2,2-diphenylethyl)amino]phenyl]methyl]-2-[(1-oxo-2,2-diphenylethyl)amino]benzoate IUPAC Name: 4-[[4-carboxylato-3-[(2,2-diphenylacetyl)amino]phenyl]methyl]-2-[(2,2-diphenylacetyl)amino]benzoate Traditional Name: 4-[4-carboxylato-3-[(2,2-diphenylacetyl)amino]benzyl]-2-[(2,2-diphenylacetyl)amino]benzoate Formula: C43H32N2O6-2 MolecularWeight: 672.72398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)CC4=CC(=C(C=C4)C(=O)[O-])NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)CC4=CC(=C(C=C4)C(=O)[O-])NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)[O-]

InChI

InChI=1S/C43H34N2O6/c46-40(38(30-13-5-1-6-14-30)31-15-7-2-8-16-31)44-36-26-28(21-23-34(36)42(48)49)25-29-22-24-35(43(50)51)37(27-29)45-41(47)39(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-24,26-27,38-39H,25H2,(H,44,46)(H,45,47)(H,48,49)(H,50,51)/p-2