5-azanyl-3-[(1-butylpiperidin-4-yl)methyl]-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid

Systemtic Name: 5-azanyl-3-[(1-butylpiperidin-4-yl)methyl]-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid Openeye Name: 5-amino-3-[(1-butyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid CAS Name: 5-amino-3-[(1-butyl-4-piperidinyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid IUPAC Name: 5-amino-3-[(1-butylpiperidin-4-yl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid Traditional Name: 5-amino-3-[(1-butyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid Formula: C19H27ClN2O4 MolecularWeight: 382.88168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)CC2COC3=C(O2)C(=C(C=C3C(=O)O)Cl)N

Isomeric SMILES

CCCCN1CCC(CC1)CC2COC3=C(O2)C(=C(C=C3C(=O)O)Cl)N

InChI

InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-12(5-8-22)9-13-11-25-17-14(19(23)24)10-15(20)16(21)18(17)26-13/h10,12-13H,2-9,11,21H2,1H3,(H,23,24)