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

Systemtic Name: 4-[4-[[(5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-3-oxidanyl-piperidin-1-yl]butanoic acid Openeye Name: 4-[4-[[(5-chloro-2,3-dihydrobenzofuran-7-carbonyl)amino]methyl]-3-hydroxy-1-piperidyl]butanoic acid CAS Name: 4-[4-[[[(5-chloro-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]methyl]-3-hydroxy-1-piperidinyl]butanoic acid IUPAC Name: 4-[4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]-3-hydroxypiperidin-1-yl]butanoic acid Traditional Name: 4-[4-[[(5-chlorocoumaran-7-carbonyl)amino]methyl]-3-hydroxy-piperidino]butyric acid Formula: C19H25ClN2O5 MolecularWeight: 396.8652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CNC(=O)C2=CC(=CC3=C2OCC3)Cl)O)CCCC(=O)O

Isomeric SMILES

C1CN(CC(C1CNC(=O)C2=CC(=CC3=C2OCC3)Cl)O)CCCC(=O)O

InChI

InChI=1S/C19H25ClN2O5/c20-14-8-12-4-7-27-18(12)15(9-14)19(26)21-10-13-3-6-22(11-16(13)23)5-1-2-17(24)25/h8-9,13,16,23H,1-7,10-11H2,(H,21,26)(H,24,25)