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

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

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NCCC(=O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC=C2)NCCC(=O)O)C

InChI

InChI=1S/C19H23NO4/c1-19(2)11-14(20-9-8-17(23)24)18(16(22)12-19)15(21)10-13-6-4-3-5-7-13/h3-7,20H,8-12H2,1-2H3,(H,23,24)