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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2(COC3=C(O2)C(=C(C=C3C(=O)O)Cl)N)C

Isomeric SMILES

CCCCN1CCC(CC1)C2(COC3=C(O2)C(=C(C=C3C(=O)O)Cl)N)C

InChI

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