6-[(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]hexanoic acid

Systemtic Name: 6-[(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]hexanoic acid Openeye Name: 6-[(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]hexanoic acid CAS Name: 6-[[4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(1-oxobutyl)-1-cyclohexenyl]amino]hexanoic acid IUPAC Name: 6-[(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]hexanoic acid Traditional Name: 6-[(2-butyryl-4-carbomethoxy-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]hexanoic acid Formula: C20H31NO6 MolecularWeight: 381.46324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCCCCC(=O)O

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCCCCC(=O)O

InChI

InChI=1S/C20H31NO6/c1-5-9-14(22)16-13(21-11-8-6-7-10-15(23)24)12-20(2,3)17(18(16)25)19(26)27-4/h17,21H,5-12H2,1-4H3,(H,23,24)