2-[4-[5-(4-chlorophenyl)pent-3-ynylamino]phenyl]carbonyloxybutanoic acid

Systemtic Name: 2-[4-[5-(4-chlorophenyl)pent-3-ynylamino]phenyl]carbonyloxybutanoic acid Openeye Name: 2-[4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoyl]oxybutanoic acid CAS Name: 2-[[4-[5-(4-chlorophenyl)pent-3-ynylamino]phenyl]-oxomethoxy]butanoic acid IUPAC Name: 2-[4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoyl]oxybutanoic acid Traditional Name: 2-[4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoyl]oxybutyric acid Formula: C22H22ClNO4 MolecularWeight: 399.86738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC(=O)C1=CC=C(C=C1)NCCC#CCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)O)OC(=O)C1=CC=C(C=C1)NCCC#CCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H22ClNO4/c1-2-20(21(25)26)28-22(27)17-9-13-19(14-10-17)24-15-5-3-4-6-16-7-11-18(23)12-8-16/h7-14,20,24H,2,5-6,15H2,1H3,(H,25,26)