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

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-4-6-18(23)22-15-11-9-14(10-12-15)19(24)13(2)28-21(26)16-7-5-8-17(27-3)20(16)25/h5,7-13,25H,4,6H2,1-3H3,(H,22,23)