methyl 3-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pentanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pentanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pentanoate CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethylamino)-4-methylpentanoate Traditional Name: 4-methyl-3-(piperonylamino)valeric acid methyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-10(2)12(7-15(17)18-3)16-8-11-4-5-13-14(6-11)20-9-19-13/h4-6,10,12,16H,7-9H2,1-3H3