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

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-4-methyl-pentanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-4-methyl-pentanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylamino)-4-methylpentanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-4-methylpentanoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-4-methyl-valeric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17NO4/c1-8(2)5-10(13(15)16)14-9-3-4-11-12(6-9)18-7-17-11/h3-4,6,8,10,14H,5,7H2,1-2H3,(H,15,16)