dimethyl (3E,5E)-2-cyclohexyl-1-oxidanylidene-6-phenyl-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl (3E,5E)-2-cyclohexyl-1-oxidanylidene-6-phenyl-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl (3E,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-4,5-dicarboxylate CAS Name: (3E,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3E,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-4,5-dicarboxylate Traditional Name: (3E,5E)-2-cyclohexyl-1-keto-6-phenyl-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C2C(=C1C(=O)OC)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC(=O)/C/1=C/N(C(=O)C2=CC=CC=C2/C(=C1/C(=O)OC)/C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H27NO5/c1-32-26(30)22-17-28(19-13-7-4-8-14-19)25(29)21-16-10-9-15-20(21)23(24(22)27(31)33-2)18-11-5-3-6-12-18/h3,5-6,9-12,15-17,19H,4,7-8,13-14H2,1-2H3/b22-17+,24-23+