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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-dodecylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 5-amino-6-chloro-8-[(1-dodecyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 5-amino-6-chloro-8-[(1-dodecyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: 5-amino-6-chloro-8-[(1-dodecylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 5-amino-6-chloro-8-[(1-lauryl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C27H42ClN2O4- MolecularWeight: 494.08638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

Isomeric SMILES

CCCCCCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

InChI

InChI=1S/C27H43ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-14-30-15-12-20(13-16-30)17-21-18-22(28)24(29)26-25(21)33-19-23(34-26)27(31)32/h18,20,23H,2-17,19,29H2,1H3,(H,31,32)/p-1