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

Systemtic Name: dimethyl 2-methyl-9-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 9-hydroxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-2-methyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 9-hydroxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-methyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC2=C(C1C3=CC=C(C=C3)CN4CCCC4)C=C(C=C2)O)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=C(C(=CC2=C(C1C3=CC=C(C=C3)CN4CCCC4)C=C(C=C2)O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H30N2O5/c1-28-17-24(27(32)34-3)23(26(31)33-2)14-20-10-11-21(30)15-22(20)25(28)19-8-6-18(7-9-19)16-29-12-4-5-13-29/h6-11,14-15,17,25,30H,4-5,12-13,16H2,1-3H3