5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanoic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanoic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanoic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanoic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pentanoic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)valeric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NCCCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NCCCCC(=O)O

InChI

InChI=1S/C13H17NO4/c15-13(16)3-1-2-6-14-10-4-5-11-12(9-10)18-8-7-17-11/h4-5,9,14H,1-3,6-8H2,(H,15,16)