2,2-diethyl-3-oxidanylidene-pentanedioic acid; 3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 2,2-diethyl-3-oxidanylidene-pentanedioic acid; 3-oxidanylidene-N-phenyl-butanamide Openeye Name: 2,2-diethyl-3-oxo-pentanedioic acid; 3-oxo-N-phenyl-butanamide CAS Name: 2,2-diethyl-3-oxopentanedioic acid; 3-oxo-N-phenylbutanamide IUPAC Name: 2,2-diethyl-3-oxopentanedioic acid; 3-oxo-N-phenylbutanamide Traditional Name: 2,2-diethyl-3-keto-glutaric acid; 3-keto-N-phenyl-butyramide Formula: C19H25NO7 MolecularWeight: 379.4043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)CC(=O)O)C(=O)O.CC(=O)CC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCC(CC)(C(=O)CC(=O)O)C(=O)O.CC(=O)CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H11NO2.C9H14O5/c1-8(12)7-10(13)11-9-5-3-2-4-6-9;1-3-9(4-2,8(13)14)6(10)5-7(11)12/h2-6H,7H2,1H3,(H,11,13);3-5H2,1-2H3,(H,11,12)(H,13,14)