4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-propyl-amino]butanoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-propyl-amino]butanoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-propyl-amino]butanoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-propylamino]butanoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-propylamino]butanoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-propyl-amino]butyric acid Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(=O)O)C(C)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCN(CCCC(=O)O)C(C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H25NO4/c1-3-8-18(9-4-5-17(19)20)13(2)10-14-6-7-15-16(11-14)22-12-21-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,19,20)