[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C)C

InChI

InChI=1S/C21H25NO5/c1-12(2)10-19(24)22-17-8-6-16(7-9-17)18(23)11-26-21(25)20-13(3)14(4)27-15(20)5/h6-9,12H,10-11H2,1-5H3,(H,22,24)