4-[[3-[2-(4-butan-2-ylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[2-(4-butan-2-ylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[[2-(4-sec-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[[2-(4-sec-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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