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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2COC3=C(O2)C(=C(C=C3C(=O)O)Cl)N

Isomeric SMILES

C1CNCCC1CC2COC3=C(O2)C(=C(C=C3C(=O)O)Cl)N

InChI

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