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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-octylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 5-amino-6-chloro-8-[(1-octyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 5-amino-6-chloro-8-[(1-octyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: 5-amino-6-chloro-8-[(1-octylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 5-amino-6-chloro-8-[(1-octyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C23H34ClN2O4- MolecularWeight: 437.98006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

Isomeric SMILES

CCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

InChI

InChI=1S/C23H35ClN2O4/c1-2-3-4-5-6-7-10-26-11-8-16(9-12-26)13-17-14-18(24)20(25)22-21(17)29-15-19(30-22)23(27)28/h14,16,19H,2-13,15,25H2,1H3,(H,27,28)/p-1