4-[[2-[2-(4-tert-butylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-[2-(4-tert-butylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[2-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H26N2O5/c1-26(2,3)18-10-14-20(15-11-18)33-16-23(29)28-22-7-5-4-6-21(22)24(30)27-19-12-8-17(9-13-19)25(31)32/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)