2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanoic acid

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanoic acid Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanoic acid CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]butanoic acid IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butanoic acid Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]butyric acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCN(CC1)C2=C3C(=CC=C2)OCCO3

Isomeric SMILES

CCC(C(=O)O)N1CCN(CC1)C2=C3C(=CC=C2)OCCO3

InChI

InChI=1S/C16H22N2O4/c1-2-12(16(19)20)17-6-8-18(9-7-17)13-4-3-5-14-15(13)22-11-10-21-14/h3-5,12H,2,6-11H2,1H3,(H,19,20)