2-[4-[3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]propan-2-ylphosphonic acid

Systemtic Name: 2-[4-[3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[4-[3-(3-methyl-5-phenyl-isoxazol-4-yl)propanoylamino]phenyl]ethyl]phosphonic acid CAS Name: 2-[4-[[3-(3-methyl-5-phenyl-4-isoxazolyl)-1-oxopropyl]amino]phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[4-[3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[4-[3-(3-methyl-5-phenyl-isoxazol-4-yl)propanoylamino]phenyl]ethyl]phosphonic acid Formula: C22H25N2O5P MolecularWeight: 428.418061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1CCC(=O)NC2=CC=C(C=C2)C(C)(C)P(=O)(O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=C1CCC(=O)NC2=CC=C(C=C2)C(C)(C)P(=O)(O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N2O5P/c1-15-19(21(29-24-15)16-7-5-4-6-8-16)13-14-20(25)23-18-11-9-17(10-12-18)22(2,3)30(26,27)28/h4-12H,13-14H2,1-3H3,(H,23,25)(H2,26,27,28)