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

Systemtic Name: 2-[[5,5-dimethyl-3-oxidanylidene-2-(phenylcarbonyl)cyclohexen-1-yl]amino]propanoic acid Openeye Name: 2-[(2-benzoyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]propanoic acid CAS Name: 2-[(2-benzoyl-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]propanoic acid IUPAC Name: 2-[(2-benzoyl-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propanoic acid Traditional Name: 2-[(2-benzoyl-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]propionic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-11(17(22)23)19-13-9-18(2,3)10-14(20)15(13)16(21)12-7-5-4-6-8-12/h4-8,11,19H,9-10H2,1-3H3,(H,22,23)