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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methyl-pentanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methyl-pentanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-(piperonylcarbamoylamino)valeric acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-10(2)6-12(15(19)21-3)18-16(20)17-8-11-4-5-13-14(7-11)23-9-22-13/h4-5,7,10,12H,6,8-9H2,1-3H3,(H2,17,18,20)