[(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [(1R)-2-[4-(2-acetamidoethyl)phenyl]-1-methyl-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [(1R)-2-[4-(2-acetamidoethyl)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C21H22FNO4 MolecularWeight: 371.402083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)CCNC(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)CCNC(=O)C)F

InChI

InChI=1S/C21H22FNO4/c1-13-4-7-18(12-19(13)22)21(26)27-14(2)20(25)17-8-5-16(6-9-17)10-11-23-15(3)24/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)/t14-/m1/s1