3-cyclohexylpropylbenzene; (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylic acid

Systemtic Name: 3-cyclohexylpropylbenzene; (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylic acid Openeye Name: 3-cyclohexylpropylbenzene; (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylic acid CAS Name: 3-cyclohexylpropylbenzene; (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid IUPAC Name: 3-cyclohexylpropylbenzene; (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylic acid Traditional Name: 3-cyclohexylpropylbenzene; (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid Formula: C28H43NO4 MolecularWeight: 457.64532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O.C1CCC(CC1)CCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O.C1CCC(CC1)CCCC2=CC=CC=C2

InChI

InChI=1S/C15H22.C13H21NO4/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-4-13(2,3)10(15)11(16)14-8-6-5-7-9(14)12(17)18/h1,3-4,8-9,15H,2,5-7,10-13H2;9H,4-8H2,1-3H3,(H,17,18)/t;9-/m.0/s1