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

Systemtic Name: (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylic acid; 3-phenylpropylbenzene Openeye Name: (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylic acid; 3-phenylpropylbenzene CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid; 3-phenylpropylbenzene IUPAC Name: (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylic acid; 3-phenylpropylbenzene Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid; 3-phenylpropylbenzene Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O.C1=CC=C(C=C1)CCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O.C1=CC=C(C=C1)CCCC2=CC=CC=C2

InChI

InChI=1S/C15H16.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/h1-6,8-11H,7,12-13H2;9H,4-8H2,1-3H3,(H,17,18)/t;9-/m.0/s1