[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] propanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

CCC(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C16H21NO4/c1-4-16(20)21-10-14(18)12-5-7-13(8-6-12)17-15(19)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)