[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H29NO6/c1-24(2,3)18-7-9-19(10-8-18)28-12-4-5-23(27)29-15-22(26)25-14-17-6-11-20-21(13-17)31-16-30-20/h6-11,13H,4-5,12,14-16H2,1-3H3,(H,25,26)