[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [(2S)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-12(2)20(25)22-16-8-6-15(7-9-16)19(24)14(4)27-21(26)17-11-13(3)5-10-18(17)23/h5-12,14,23H,1-4H3,(H,22,25)/t14-/m0/s1