4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methylphenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methylphenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-[4-(1,3-benzoxazol-2-ylamino)-3-methyl-phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C28H32FN3O5 MolecularWeight: 509.569183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)C(N2CCCC2)(OC3CCC(CC3)C(=O)O)F)NC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)C(N2CCCC2)(OC3CCC(CC3)C(=O)O)F)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C28H32FN3O5/c1-18-16-19(8-13-22(18)30-27-31-23-6-2-3-7-24(23)36-27)17-25(33)28(29,32-14-4-5-15-32)37-21-11-9-20(10-12-21)26(34)35/h2-3,6-8,13,16,20-21H,4-5,9-12,14-15,17H2,1H3,(H,30,31)(H,34,35)