5-azanyl-6-chloranyl-8-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[(1-ethyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[(1-ethyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[(1-ethyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

CCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C17H23ClN2O4/c1-2-20-5-3-10(4-6-20)7-11-8-12(18)14(19)16-15(11)23-9-13(24-16)17(21)22/h8,10,13H,2-7,9,19H2,1H3,(H,21,22)