5-azanyl-3-(1-butylpiperidin-4-yl)-6,7-bis(chloranyl)-3-methyl-2H-1,4-benzodioxine-8-carboxylic acid

Systemtic Name: 5-azanyl-3-(1-butylpiperidin-4-yl)-6,7-bis(chloranyl)-3-methyl-2H-1,4-benzodioxine-8-carboxylic acid Openeye Name: 5-amino-3-(1-butyl-4-piperidyl)-6,7-dichloro-3-methyl-2H-1,4-benzodioxine-8-carboxylic acid CAS Name: 5-amino-3-(1-butyl-4-piperidinyl)-6,7-dichloro-3-methyl-2H-1,4-benzodioxin-8-carboxylic acid IUPAC Name: 5-amino-3-(1-butylpiperidin-4-yl)-6,7-dichloro-3-methyl-2H-1,4-benzodioxine-8-carboxylic acid Traditional Name: 5-amino-3-(1-butyl-4-piperidyl)-6,7-dichloro-3-methyl-2H-1,4-benzodioxin-8-carboxylic acid Formula: C19H26Cl2N2O4 MolecularWeight: 417.32674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2(COC3=C(C(=C(C(=C3O2)N)Cl)Cl)C(=O)O)C

Isomeric SMILES

CCCCN1CCC(CC1)C2(COC3=C(C(=C(C(=C3O2)N)Cl)Cl)C(=O)O)C

InChI

InChI=1S/C19H26Cl2N2O4/c1-3-4-7-23-8-5-11(6-9-23)19(2)10-26-16-12(18(24)25)13(20)14(21)15(22)17(16)27-19/h11H,3-10,22H2,1-2H3,(H,24,25)