[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-13(2)11-19(24)22-15-9-7-14(8-10-15)17(23)12-28-21(26)16-5-4-6-18(27-3)20(16)25/h4-10,13,25H,11-12H2,1-3H3,(H,22,24)