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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-heptylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[(1-heptyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[(1-heptyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[(1-heptylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[(1-heptyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C22H33ClN2O4 MolecularWeight: 424.96142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

CCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C22H33ClN2O4/c1-2-3-4-5-6-9-25-10-7-15(8-11-25)12-16-13-17(23)19(24)21-20(16)28-14-18(29-21)22(26)27/h13,15,18H,2-12,14,24H2,1H3,(H,26,27)