carbon monoxide; iron; N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]cyclohexanecarboxamide

Systemtic Name: carbon monoxide; iron; N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-ethyl]-N-[(4-methoxyphenyl)methyl]cyclohexanecarboxamide; carbon monoxide; iron CAS Name: carbon monoxide; iron; N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide IUPAC Name: carbon monoxide; iron; N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-ethyl]-N-p-anisyl-cyclohexanecarboxamide; carbon monoxide; iron Formula: C27H25FeNO6 MolecularWeight: 515.3355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C(CC2=CC=CC=C2)C=O)C(=O)[C]3CC[CH][CH][CH]3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC1=CC=C(C=C1)CN([C@@H](CC2=CC=CC=C2)C=O)C(=O)[C]3CC[CH][CH][CH]3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C24H25NO3.3CO.Fe/c1-28-23-14-12-20(13-15-23)17-25(24(27)21-10-6-3-7-11-21)22(18-26)16-19-8-4-2-5-9-19;3*1-2;/h2-6,8-10,12-15,18,22H,7,11,16-17H2,1H3;;;;/t22-;;;;/m0..../s1