methyl 5-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-bromophenyl)-4-hydroxy-piperidino]methyl]furan-2-carboxylic acid methyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C18H20BrNO4/c1-23-17(21)16-7-6-15(24-16)12-20-10-8-18(22,9-11-20)13-2-4-14(19)5-3-13/h2-7,22H,8-12H2,1H3