2-[[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propan-2-yl]amino]hexanoic acid

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propan-2-yl]amino]hexanoic acid Openeye Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-ethyl]amino]hexanoic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-3-oxopropan-2-yl]amino]hexanoic acid IUPAC Name: 2-[[1-(1,3-benzodioxol-5-yl)-3-oxopropan-2-yl]amino]hexanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-1-formyl-ethyl]amino]hexanoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(CC1=CC2=C(C=C1)OCO2)C=O

Isomeric SMILES

CCCCC(C(=O)O)NC(CC1=CC2=C(C=C1)OCO2)C=O

InChI

InChI=1S/C16H21NO5/c1-2-3-4-13(16(19)20)17-12(9-18)7-11-5-6-14-15(8-11)22-10-21-14/h5-6,8-9,12-13,17H,2-4,7,10H2,1H3,(H,19,20)