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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-decylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[(1-decyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[(1-decyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[(1-decylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[(1-decyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C25H39ClN2O4 MolecularWeight: 467.04116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

CCCCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C25H39ClN2O4/c1-2-3-4-5-6-7-8-9-12-28-13-10-18(11-14-28)15-19-16-20(26)22(27)24-23(19)31-17-21(32-24)25(29)30/h16,18,21H,2-15,17,27H2,1H3,(H,29,30)