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

Systemtic Name: [(2R)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [(2R)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [(2R)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [(1R)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C(=CC=C2)C)O

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=C(C(=CC=C2)C)O

InChI

InChI=1S/C21H23NO5/c1-4-6-18(23)22-16-11-9-15(10-12-16)20(25)14(3)27-21(26)17-8-5-7-13(2)19(17)24/h5,7-12,14,24H,4,6H2,1-3H3,(H,22,23)/t14-/m1/s1