7-bromanyl-5-[(1-butylpiperidin-4-yl)methyl]-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxylic acid

Systemtic Name: 7-bromanyl-5-[(1-butylpiperidin-4-yl)methyl]-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxylic acid Openeye Name: 7-bromo-5-[(1-butyl-4-piperidyl)methyl]-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxylic acid CAS Name: 7-bromo-5-[(1-butyl-4-piperidinyl)methyl]-3,4a-dihydro-2H-1,4-benzodioxin-5-carboxylic acid IUPAC Name: 7-bromo-5-[(1-butylpiperidin-4-yl)methyl]-3,4a-dihydro-2H-1,4-benzodioxine-5-carboxylic acid Traditional Name: 7-bromo-5-[(1-butyl-4-piperidyl)methyl]-3,4a-dihydro-2H-1,4-benzodioxin-5-carboxylic acid Formula: C19H28BrNO4 MolecularWeight: 414.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)CC2(C=C(C=C3C2OCCO3)Br)C(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)CC2(C=C(C=C3C2OCCO3)Br)C(=O)O

InChI

InChI=1S/C19H28BrNO4/c1-2-3-6-21-7-4-14(5-8-21)12-19(18(22)23)13-15(20)11-16-17(19)25-10-9-24-16/h11,13-14,17H,2-10,12H2,1H3,(H,22,23)