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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-18(2)10-13(19-9-8-15(21)22)16(14(20)11-18)17(23)12-6-4-3-5-7-12/h3-7,19H,8-11H2,1-2H3,(H,21,22)