3-[3-(1,3-benzodioxol-5-yl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylic acid

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)propyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylic acid CAS Name: 3-[3-(1,3-benzodioxol-5-yl)propyl]-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)propyl]-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylic acid Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)propyl]-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC(C1C(=O)O)CCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC(C1C(=O)O)CCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H31NO6/c1-4-23(2,3)20(25)21(26)24-12-6-9-16(19(24)22(27)28)8-5-7-15-10-11-17-18(13-15)30-14-29-17/h10-11,13,16,19H,4-9,12,14H2,1-3H3,(H,27,28)