[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C24H29NO7 MolecularWeight: 443.48956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C24H29NO7/c1-15(2)9-10-29-19-8-6-18(12-21(19)28-4)24(27)32-16(3)23(26)25-13-17-5-7-20-22(11-17)31-14-30-20/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3,(H,25,26)