dimethyl 2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-2-[(5-nitro-2-furanyl)methyl]-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 9-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-[4-(pyrrolidinomethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C31H31N3O8 MolecularWeight: 573.59314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC=C(O3)[N+](=O)[O-])C4=CC=C(C=C4)CN5CCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC=C(O3)[N+](=O)[O-])C4=CC=C(C=C4)CN5CCCC5

InChI

InChI=1S/C31H31N3O8/c1-40-30(36)26-15-22-9-10-23(35)16-25(22)29(21-7-5-20(6-8-21)17-32-13-3-4-14-32)33(19-27(26)31(37)41-2)18-24-11-12-28(42-24)34(38)39/h5-12,15-16,19,29,35H,3-4,13-14,17-18H2,1-2H3