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

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C21H23NO5/c1-13(2)11-19(24)22-16-9-7-15(8-10-16)18(23)12-27-21(26)17-6-4-5-14(3)20(17)25/h4-10,13,25H,11-12H2,1-3H3,(H,22,24)