3-[4-[3-[2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[3-[2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[3-[2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)oxazol-5-yl]propanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[[3-[2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-5-oxazolyl]-1-oxopropyl]amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[3-[2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[3-[2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)oxazol-5-yl]propanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C30H30ClN2O7P MolecularWeight: 596.995161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(O2)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(O2)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl)P(=O)(O)O

InChI

InChI=1S/C30H30ClN2O7P/c1-3-30(4-2,41(35,36)37)21-8-12-23(13-9-21)32-27(34)16-15-25-28(19-5-10-22(31)11-6-19)33-29(40-25)20-7-14-24-26(17-20)39-18-38-24/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,32,34)(H2,35,36,37)