6-[[5,5-dimethyl-3-oxidanylidene-2-(2-phenylethanoyl)cyclohexen-1-yl]amino]hexanoic acid

Systemtic Name: 6-[[5,5-dimethyl-3-oxidanylidene-2-(2-phenylethanoyl)cyclohexen-1-yl]amino]hexanoic acid Openeye Name: 6-[[5,5-dimethyl-3-oxo-2-(2-phenylacetyl)cyclohexen-1-yl]amino]hexanoic acid CAS Name: 6-[[5,5-dimethyl-3-oxo-2-(1-oxo-2-phenylethyl)-1-cyclohexenyl]amino]hexanoic acid IUPAC Name: 6-[[5,5-dimethyl-3-oxo-2-(2-phenylacetyl)cyclohexen-1-yl]amino]hexanoic acid Traditional Name: 6-[[3-keto-5,5-dimethyl-2-(2-phenylacetyl)cyclohexen-1-yl]amino]hexanoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-22(2)14-17(23-12-8-4-7-11-20(26)27)21(19(25)15-22)18(24)13-16-9-5-3-6-10-16/h3,5-6,9-10,23H,4,7-8,11-15H2,1-2H3,(H,26,27)