5-azanyl-3-(1-butylpiperidin-4-yl)-3-methyl-2H-1,4-benzodioxine-8-carboxylate

Systemtic Name: 5-azanyl-3-(1-butylpiperidin-4-yl)-3-methyl-2H-1,4-benzodioxine-8-carboxylate Openeye Name: 5-amino-3-(1-butyl-4-piperidyl)-3-methyl-2H-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-3-(1-butyl-4-piperidinyl)-3-methyl-2H-1,4-benzodioxin-8-carboxylate IUPAC Name: 5-amino-3-(1-butylpiperidin-4-yl)-3-methyl-2H-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-3-(1-butyl-4-piperidyl)-3-methyl-2H-1,4-benzodioxin-8-carboxylate Formula: C19H27N2O4- MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2(COC3=C(C=CC(=C3O2)N)C(=O)[O-])C

Isomeric SMILES

CCCCN1CCC(CC1)C2(COC3=C(C=CC(=C3O2)N)C(=O)[O-])C

InChI

InChI=1S/C19H28N2O4/c1-3-4-9-21-10-7-13(8-11-21)19(2)12-24-16-14(18(22)23)5-6-15(20)17(16)25-19/h5-6,13H,3-4,7-12,20H2,1-2H3,(H,22,23)/p-1