methyl (3Z,5E)-2-cyclohexyl-1-oxidanylidene-6-phenyl-2-benzazocine-5-carboxylate

Systemtic Name: methyl (3Z,5E)-2-cyclohexyl-1-oxidanylidene-6-phenyl-2-benzazocine-5-carboxylate Openeye Name: methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate CAS Name: (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate Traditional Name: (3Z,5E)-2-cyclohexyl-1-keto-6-phenyl-2-benzazocine-5-carboxylic acid methyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2C(=O)N(C=C1)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C/1=C(/C2=CC=CC=C2C(=O)N(/C=C1)C3CCCCC3)\C4=CC=CC=C4

InChI

InChI=1S/C25H25NO3/c1-29-25(28)22-16-17-26(19-12-6-3-7-13-19)24(27)21-15-9-8-14-20(21)23(22)18-10-4-2-5-11-18/h2,4-5,8-11,14-17,19H,3,6-7,12-13H2,1H3/b17-16-,23-22+