3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-[(E)-prop-1-enyl]piperidine-2-carboxylate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-[(E)-prop-1-enyl]piperidine-2-carboxylate Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxo-pentanoyl)-2-[(E)-prop-1-enyl]piperidine-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-[(E)-prop-1-enyl]-2-piperidinecarboxylate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxopentanoyl)-2-[(E)-prop-1-enyl]piperidine-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(2-keto-3,3-dimethyl-pentanoyl)-2-[(E)-prop-1-enyl]pipecolinate Formula: C23H28NO6- MolecularWeight: 414.47152

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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=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC(C1(/C=C/C)C(=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H29NO6/c1-5-11-23(21(27)28)16(15-9-10-17-18(13-15)30-14-29-17)8-7-12-24(23)20(26)19(25)22(3,4)6-2/h5,9-11,13,16H,6-8,12,14H2,1-4H3,(H,27,28)/p-1/b11-5+