4-[[3-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[2-(2,5-dimethylphenoxy)propanoylamino]benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[[2-(2,5-dimethylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[2-(2,5-dimethylphenoxy)propanoylamino]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[2-(2,5-dimethylphenoxy)propanoylamino]benzoyl]amino]benzoic acid Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H24N2O5/c1-15-7-8-16(2)22(13-15)32-17(3)23(28)27-21-6-4-5-19(14-21)24(29)26-20-11-9-18(10-12-20)25(30)31/h4-14,17H,1-3H3,(H,26,29)(H,27,28)(H,30,31)