methyl 5-azanyl-3-[1-(2-azanylethyl)piperidin-4-yl]-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate

Systemtic Name: methyl 5-azanyl-3-[1-(2-azanylethyl)piperidin-4-yl]-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: methyl 5-amino-3-[1-(2-aminoethyl)-4-piperidyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-3-[1-(2-aminoethyl)-4-piperidinyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-3-[1-(2-aminoethyl)-4-piperidyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid methyl ester Formula: C17H24ClN3O4 MolecularWeight: 369.84316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C2=C1OCC(O2)C3CCN(CC3)CCN)N)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C2=C1OCC(O2)C3CCN(CC3)CCN)N)Cl

InChI

InChI=1S/C17H24ClN3O4/c1-23-17(22)11-8-12(18)14(20)16-15(11)24-9-13(25-16)10-2-5-21(6-3-10)7-4-19/h8,10,13H,2-7,9,19-20H2,1H3