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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-propylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 5-amino-6-chloro-8-[(1-propyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 5-amino-6-chloro-8-[(1-propyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: 5-amino-6-chloro-8-[(1-propylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 5-amino-6-chloro-8-[(1-propyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C18H24ClN2O4- MolecularWeight: 367.84716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

Isomeric SMILES

CCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl

InChI

InChI=1S/C18H25ClN2O4/c1-2-5-21-6-3-11(4-7-21)8-12-9-13(19)15(20)17-16(12)24-10-14(25-17)18(22)23/h9,11,14H,2-8,10,20H2,1H3,(H,22,23)/p-1