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

Systemtic Name: dimethyl 9-methoxy-2-methyl-8-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 8-hydroxy-9-methoxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-2-methyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 8-hydroxy-9-methoxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-2-methyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC2=CC(=C(C=C2C1C3=CC=C(C=C3)CN4CCCC4)OC)O)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=C(C(=CC2=CC(=C(C=C2C1C3=CC=C(C=C3)CN4CCCC4)OC)O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H32N2O6/c1-29-17-23(28(33)36-4)22(27(32)35-3)13-20-14-24(31)25(34-2)15-21(20)26(29)19-9-7-18(8-10-19)16-30-11-5-6-12-30/h7-10,13-15,17,26,31H,5-6,11-12,16H2,1-4H3