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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-undecylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[(1-undecyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[(1-undecyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[(1-undecylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[(1-undecyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C26H41ClN2O4 MolecularWeight: 481.06774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

CCCCCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C26H41ClN2O4/c1-2-3-4-5-6-7-8-9-10-13-29-14-11-19(12-15-29)16-20-17-21(27)23(28)25-24(20)32-18-22(33-25)26(30)31/h17,19,22H,2-16,18,28H2,1H3,(H,30,31)