3-(1,3-benzodioxol-5-yl)propyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H31NO6/c1-4-23(2,3)20(25)21(26)24-12-6-5-9-17(24)22(27)28-13-7-8-16-10-11-18-19(14-16)30-15-29-18/h10-11,14,17H,4-9,12-13,15H2,1-3H3/t17-/m0/s1