[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,3-dimethylbenzoate

Systemtic Name: [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,3-dimethylbenzoate Openeye Name: [(1R)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [(2R)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [(1R)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C22H25NO4/c1-13(2)21(25)23-18-11-9-17(10-12-18)20(24)16(5)27-22(26)19-8-6-7-14(3)15(19)4/h6-13,16H,1-5H3,(H,23,25)/t16-/m1/s1