dimethyl 9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-2-[(5-nitro-2-furanyl)methyl]-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 8-hydroxy-9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1-[4-(pyrrolidinomethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C32H33N3O9 MolecularWeight: 603.61912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3=CC=C(C=C3)CN4CCCC4)CC5=CC=C(O5)[N+](=O)[O-])C(=O)OC)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3=CC=C(C=C3)CN4CCCC4)CC5=CC=C(O5)[N+](=O)[O-])C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C32H33N3O9/c1-41-28-16-24-22(15-27(28)36)14-25(31(37)42-2)26(32(38)43-3)19-34(18-23-10-11-29(44-23)35(39)40)30(24)21-8-6-20(7-9-21)17-33-12-4-5-13-33/h6-11,14-16,19,30,36H,4-5,12-13,17-18H2,1-3H3