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

Systemtic Name: [1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: [1-(3-pyridylmethyl)-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-(3-pyridinylmethyl)-4-piperidinyl]methyl ester IUPAC Name: [1-(pyridin-3-ylmethyl)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-(3-pyridylmethyl)-4-piperidyl]methyl ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C21H24ClN3O4/c22-17-10-16(19-20(18(17)23)28-9-8-27-19)21(26)29-13-14-3-6-25(7-4-14)12-15-2-1-5-24-11-15/h1-2,5,10-11,14H,3-4,6-9,12-13,23H2