(2S)-2-[1,3-benzodioxol-5-ylmethyl(ethanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl(ethanoyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[acetyl(piperonyl)amino]-3-methyl-butyric acid Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC2=C(C=C1)OCO2)C(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC2=C(C=C1)OCO2)C(=O)C

InChI

InChI=1S/C15H19NO5/c1-9(2)14(15(18)19)16(10(3)17)7-11-4-5-12-13(6-11)21-8-20-12/h4-6,9,14H,7-8H2,1-3H3,(H,18,19)/t14-/m0/s1