2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid Openeye Name: 2-[3-[4-(3,5-dimethylisoxazol-4-yl)phenyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid Traditional Name: 2-[3-[4-(3,5-dimethylisoxazol-4-yl)phenyl]propanoylamino]benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-13-20(14(2)27-23-13)16-10-7-15(8-11-16)9-12-19(24)22-18-6-4-3-5-17(18)21(25)26/h3-8,10-11H,9,12H2,1-2H3,(H,22,24)(H,25,26)