4-(1,3-benzodioxol-5-yl)-2-methyl-2-(propylamino)butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(propylamino)butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(propylamino)butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(propylamino)butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(propylamino)butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(propylamino)butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)(CCC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CCCNC(C)(CCC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C15H21NO4/c1-3-8-16-15(2,14(17)18)7-6-11-4-5-12-13(9-11)20-10-19-12/h4-5,9,16H,3,6-8,10H2,1-2H3,(H,17,18)