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

Systemtic Name: 2-(1-butylpiperidin-4-yl)-7-chloranyl-2-methyl-3H-1,4-benzodioxine-5-carboxylic acid Openeye Name: 2-(1-butyl-4-piperidyl)-7-chloro-2-methyl-3H-1,4-benzodioxine-5-carboxylic acid CAS Name: 2-(1-butyl-4-piperidinyl)-7-chloro-2-methyl-3H-1,4-benzodioxin-5-carboxylic acid IUPAC Name: 2-(1-butylpiperidin-4-yl)-7-chloro-2-methyl-3H-1,4-benzodioxine-5-carboxylic acid Traditional Name: 2-(1-butyl-4-piperidyl)-7-chloro-2-methyl-3H-1,4-benzodioxin-5-carboxylic acid Formula: C19H26ClNO4 MolecularWeight: 367.86704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO4/c1-3-4-7-21-8-5-13(6-9-21)19(2)12-24-17-15(18(22)23)10-14(20)11-16(17)25-19/h10-11,13H,3-9,12H2,1-2H3,(H,22,23)