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

Systemtic Name: 2-[[5,5-dimethyl-3-oxidanylidene-2-(phenylcarbonyl)cyclohexen-1-yl]amino]ethanoic acid Openeye Name: 2-[(2-benzoyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]acetic acid CAS Name: 2-[(2-benzoyl-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]acetic acid IUPAC Name: 2-[(2-benzoyl-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]acetic acid Traditional Name: 2-[(2-benzoyl-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]acetic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-17(2)8-12(18-10-14(20)21)15(13(19)9-17)16(22)11-6-4-3-5-7-11/h3-7,18H,8-10H2,1-2H3,(H,20,21)