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

Systemtic Name: (1-butyl-3-oxidanyl-piperidin-4-yl)methyl 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: (1-butyl-3-hydroxy-4-piperidyl)methyl 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid (1-butyl-3-hydroxy-4-piperidinyl)methyl ester IUPAC Name: (1-butyl-3-hydroxypiperidin-4-yl)methyl 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-coumaran-7-carboxylic acid (1-butyl-3-hydroxy-4-piperidyl)methyl ester Formula: C19H27ClN2O4 MolecularWeight: 382.88168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)O)COC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

Isomeric SMILES

CCCCN1CCC(C(C1)O)COC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

InChI

InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-12(16(23)10-22)11-26-19(24)14-9-15(20)17(21)13-5-8-25-18(13)14/h9,12,16,23H,2-8,10-11,21H2,1H3