2-[[4-[2-(4-tert-butylphenoxy)ethanoylamino]-3-methyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[2-(4-tert-butylphenoxy)ethanoylamino]-3-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-methyl-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-3-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-methylbenzoyl]amino]benzoic acid Traditional Name: 2-[[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-methyl-benzoyl]amino]benzoic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H28N2O5/c1-17-15-18(25(31)29-23-8-6-5-7-21(23)26(32)33)9-14-22(17)28-24(30)16-34-20-12-10-19(11-13-20)27(2,3)4/h5-15H,16H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)