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

Systemtic Name: 5-azanyl-6-chloranyl-8-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-(4-piperidylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-(4-piperidinylmethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-(4-piperidylmethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C15H19ClN2O4 MolecularWeight: 326.77536

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

C1CNCCC1CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C15H19ClN2O4/c16-10-6-9(5-8-1-3-18-4-2-8)13-14(12(10)17)22-11(7-21-13)15(19)20/h6,8,11,18H,1-5,7,17H2,(H,19,20)