[3-oxidanyl-1-(4-oxidanylidenepentyl)piperidin-4-yl]methyl 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: [3-oxidanyl-1-(4-oxidanylidenepentyl)piperidin-4-yl]methyl 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [3-hydroxy-1-(4-oxopentyl)-4-piperidyl]methyl 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid [3-hydroxy-1-(4-oxopentyl)-4-piperidinyl]methyl ester IUPAC Name: [3-hydroxy-1-(4-oxopentyl)piperidin-4-yl]methyl 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-coumaran-7-carboxylic acid [3-hydroxy-1-(4-ketopentyl)-4-piperidyl]methyl ester Formula: C20H27ClN2O5 MolecularWeight: 410.89178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1CCC(C(C1)O)COC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

Isomeric SMILES

CC(=O)CCCN1CCC(C(C1)O)COC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

InChI

InChI=1S/C20H27ClN2O5/c1-12(24)3-2-6-23-7-4-13(17(25)10-23)11-28-20(26)15-9-16(21)18(22)14-5-8-27-19(14)15/h9,13,17,25H,2-8,10-11,22H2,1H3