2-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamoyl]benzoic acid Openeye Name: 2-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoic acid CAS Name: 2-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoic acid Traditional Name: 2-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H25N3O5/c1-26(2,3)18-12-8-16(9-13-18)22(30)27-19-14-10-17(11-15-19)23(31)28-29-24(32)20-6-4-5-7-21(20)25(33)34/h4-15H,1-3H3,(H,27,30)(H,28,31)(H,29,32)(H,33,34)