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

Systemtic Name: (1-butylpiperidin-4-yl)methyl 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: (1-butyl-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-4-piperidinyl)methyl ester IUPAC Name: (1-butylpiperidin-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-4-piperidyl)methyl ester Formula: C19H27ClN2O3 MolecularWeight: 366.88228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

Isomeric SMILES

CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

InChI

InChI=1S/C19H27ClN2O3/c1-2-3-7-22-8-4-13(5-9-22)12-25-19(23)15-11-16(20)17(21)14-6-10-24-18(14)15/h11,13H,2-10,12,21H2,1H3