2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methyl-pentanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methyl-pentanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methyl-pentanoic acid CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoic acid Traditional Name: 4-methyl-2-(piperonylcarbamoylamino)valeric acid Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-9(2)5-11(14(18)19)17-15(20)16-7-10-3-4-12-13(6-10)22-8-21-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)