[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCCC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCCC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C22H26FNO5/c1-4-27-19-11-8-17(14-20(19)28-5-2)22(26)29-15(3)21(25)24-13-12-16-6-9-18(23)10-7-16/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,25)/t15-/m1/s1