5-azanyl-6-chloranyl-8-[(1-hexylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-hexylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 5-amino-6-chloro-8-[(1-hexyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 5-amino-6-chloro-8-[(1-hexyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: 5-amino-6-chloro-8-[(1-hexylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 5-amino-6-chloro-8-[(1-hexyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C21H30ClN2O4- MolecularWeight: 409.9269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

Isomeric SMILES

CCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

InChI

InChI=1S/C21H31ClN2O4/c1-2-3-4-5-8-24-9-6-14(7-10-24)11-15-12-16(22)18(23)20-19(15)27-13-17(28-20)21(25)26/h12,14,17H,2-11,13,23H2,1H3,(H,25,26)/p-1