4-[4-carboxy-3-(2,2-diphenylethanoylamino)phenyl]-2-(2,2-diphenylethanoylamino)benzoic acid

Systemtic Name: 4-[4-carboxy-3-(2,2-diphenylethanoylamino)phenyl]-2-(2,2-diphenylethanoylamino)benzoic acid Openeye Name: 4-[4-carboxy-3-[(2,2-diphenylacetyl)amino]phenyl]-2-[(2,2-diphenylacetyl)amino]benzoic acid CAS Name: 4-[4-carboxy-3-[(1-oxo-2,2-diphenylethyl)amino]phenyl]-2-[(1-oxo-2,2-diphenylethyl)amino]benzoic acid IUPAC Name: 4-[4-carboxy-3-[(2,2-diphenylacetyl)amino]phenyl]-2-[(2,2-diphenylacetyl)amino]benzoic acid Traditional Name: 4-[4-carboxy-3-[(2,2-diphenylacetyl)amino]phenyl]-2-[(2,2-diphenylacetyl)amino]benzoic acid Formula: C42H32N2O6 MolecularWeight: 660.71328

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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)C4=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)C4=CC(=C(C=C4)C(=O)O)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C42H32N2O6/c45-39(37(27-13-5-1-6-14-27)28-15-7-2-8-16-28)43-35-25-31(21-23-33(35)41(47)48)32-22-24-34(42(49)50)36(26-32)44-40(46)38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26,37-38H,(H,43,45)(H,44,46)(H,47,48)(H,49,50)