2-[[5,5-dimethyl-3-oxidanylidene-2-(2-phenylethanoyl)cyclohexen-1-yl]amino]propanoic acid

Systemtic Name: 2-[[5,5-dimethyl-3-oxidanylidene-2-(2-phenylethanoyl)cyclohexen-1-yl]amino]propanoic acid Openeye Name: 2-[[5,5-dimethyl-3-oxo-2-(2-phenylacetyl)cyclohexen-1-yl]amino]propanoic acid CAS Name: 2-[[5,5-dimethyl-3-oxo-2-(1-oxo-2-phenylethyl)-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 2-[[5,5-dimethyl-3-oxo-2-(2-phenylacetyl)cyclohexen-1-yl]amino]propanoic acid Traditional Name: 2-[[3-keto-5,5-dimethyl-2-(2-phenylacetyl)cyclohexen-1-yl]amino]propionic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C(=O)CC(C1)(C)C)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=O)CC(C1)(C)C)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H23NO4/c1-12(18(23)24)20-14-10-19(2,3)11-16(22)17(14)15(21)9-13-7-5-4-6-8-13/h4-8,12,20H,9-11H2,1-3H3,(H,23,24)