5-azanyl-6-chloranyl-8-(1-hexylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-azanyl-6-chloranyl-8-(1-hexylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-(1-hexyl-4-piperidyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-(1-hexyl-4-piperidinyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-(1-hexylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-(1-hexyl-4-piperidyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)C2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

CCCCCCN1CCC(CC1)C2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C20H29ClN2O4/c1-2-3-4-5-8-23-9-6-13(7-10-23)14-11-15(21)17(22)19-18(14)26-12-16(27-19)20(24)25/h11,13,16H,2-10,12,22H2,1H3,(H,24,25)