5-(1,3-benzodioxol-5-ylamino)pentanoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylamino)pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-ylamino)pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-ylamino)pentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylamino)pentanoic acid Traditional Name: 5-(1,3-benzodioxol-5-ylamino)valeric acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCCCCC(=O)O

InChI

InChI=1S/C12H15NO4/c14-12(15)3-1-2-6-13-9-4-5-10-11(7-9)17-8-16-10/h4-5,7,13H,1-3,6,8H2,(H,14,15)