1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-phenyl-2-[(E)-prop-1-enyl]piperidine-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-phenyl-2-[(E)-prop-1-enyl]piperidine-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-phenyl-2-[(E)-prop-1-enyl]piperidine-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-phenyl-2-[(E)-prop-1-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-phenyl-2-[(E)-prop-1-enyl]piperidine-2-carboxylic acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-3-phenyl-2-[(E)-prop-1-enyl]pipecolinic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC(C1(C=CC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC(C1(/C=C/C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO4/c1-5-14-22(20(26)27)17(16-11-8-7-9-12-16)13-10-15-23(22)19(25)18(24)21(3,4)6-2/h5,7-9,11-12,14,17H,6,10,13,15H2,1-4H3,(H,26,27)/b14-5+