methyl 4-[4-[[(5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-3-oxidanyl-piperidin-1-yl]butanoate

Systemtic Name: methyl 4-[4-[[(5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-3-oxidanyl-piperidin-1-yl]butanoate Openeye Name: methyl 4-[4-[[(5-chloro-2,3-dihydrobenzofuran-7-carbonyl)amino]methyl]-3-hydroxy-1-piperidyl]butanoate CAS Name: 4-[4-[[[(5-chloro-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]methyl]-3-hydroxy-1-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]-3-hydroxypiperidin-1-yl]butanoate Traditional Name: 4-[4-[[(5-chlorocoumaran-7-carbonyl)amino]methyl]-3-hydroxy-piperidino]butyric acid methyl ester Formula: C20H27ClN2O5 MolecularWeight: 410.89178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1CCC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCC3)Cl

Isomeric SMILES

COC(=O)CCCN1CCC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCC3)Cl

InChI

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