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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H22N2O5/c1-4-10(2)14(15(19)21-3)18-16(20)17-8-11-5-6-12-13(7-11)23-9-22-12/h5-7,10,14H,4,8-9H2,1-3H3,(H2,17,18,20)/t10?,14-/m0/s1