methyl 2-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-pentanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-pentanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-pentanoate CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylamino)-3-methylpentanoate Traditional Name: 3-methyl-2-(piperonylamino)valeric acid methyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H21NO4/c1-4-10(2)14(15(17)18-3)16-8-11-5-6-12-13(7-11)20-9-19-12/h5-7,10,14,16H,4,8-9H2,1-3H3