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

Systemtic Name: [1-(cyanomethyl)piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: [1-(cyanomethyl)-4-piperidyl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid [1-(cyanomethyl)-4-piperidinyl]methyl ester IUPAC Name: [1-(cyanomethyl)piperidin-4-yl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid [1-(cyanomethyl)-4-piperidyl]methyl ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CC#N

Isomeric SMILES

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CC#N

InChI

InChI=1S/C17H20ClN3O4/c18-13-9-12(15-16(14(13)20)24-8-7-23-15)17(22)25-10-11-1-4-21(5-2-11)6-3-19/h9,11H,1-2,4-8,10,20H2