3-(4-dimethylaminophenyl)-2-ethanoyl-4-oxidanylidene-hexanoic acid

Systemtic Name: 3-(4-dimethylaminophenyl)-2-ethanoyl-4-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(4-dimethylaminophenyl)-4-oxo-hexanoic acid CAS Name: 2-acetyl-3-(4-dimethylaminophenyl)-4-oxohexanoic acid IUPAC Name: 2-acetyl-3-(4-dimethylaminophenyl)-4-oxohexanoic acid Traditional Name: 2-acetyl-3-(4-dimethylaminophenyl)-4-keto-hexanoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=C(C=C1)N(C)C)C(C(=O)C)C(=O)O

Isomeric SMILES

CCC(=O)C(C1=CC=C(C=C1)N(C)C)C(C(=O)C)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-5-13(19)15(14(10(2)18)16(20)21)11-6-8-12(9-7-11)17(3)4/h6-9,14-15H,5H2,1-4H3,(H,20,21)