1-(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl)piperidine-4-carboxylic acid Openeye Name: 1-(7-hydroxy-3,6,6-trimethyl-4-oxo-cyclohept-2-en-1-yl)piperidine-4-carboxylic acid CAS Name: 1-(7-hydroxy-3,6,6-trimethyl-4-oxo-1-cyclohept-2-enyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(7-hydroxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl)piperidine-4-carboxylic acid Traditional Name: 1-(7-hydroxy-4-keto-3,6,6-trimethyl-cyclohept-2-en-1-yl)isonipecotic acid Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H25NO4/c1-10-8-12(14(19)16(2,3)9-13(10)18)17-6-4-11(5-7-17)15(20)21/h8,11-12,14,19H,4-7,9H2,1-3H3,(H,20,21)