zinc (phenylmethyl) (5Z)-4-ethyl-5-[(4-ethyl-3,5-dimethyl-pyrrol-1-id-2-yl)methylidene]-3-methyl-pyrrole-2-carboxylate

Systemtic Name: zinc (phenylmethyl) (5Z)-4-ethyl-5-[(4-ethyl-3,5-dimethyl-pyrrol-1-id-2-yl)methylidene]-3-methyl-pyrrole-2-carboxylate Openeye Name: zinc benzyl (5Z)-4-ethyl-5-[(4-ethyl-3,5-dimethyl-pyrrol-1-id-2-yl)methylene]-3-methyl-pyrrole-2-carboxylate CAS Name: zinc (5Z)-4-ethyl-5-[(4-ethyl-3,5-dimethyl-2-pyrrol-1-idyl)methylidene]-3-methyl-2-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: zinc benzyl (5Z)-4-ethyl-5-[(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)methylidene]-3-methylpyrrole-2-carboxylate Traditional Name: zinc (5Z)-4-ethyl-5-[(4-ethyl-3,5-dimethyl-pyrrol-1-id-2-yl)methylene]-3-methyl-pyrrole-2-carboxylic acid benzyl ester Formula: C48H54N4O4Zn MolecularWeight: 816.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC1=CC2=C(C(=C([N-]2)C)CC)C)C(=O)OCC3=CC=CC=C3)C.CCC1=C(C(=NC1=CC2=C(C(=C([N-]2)C)CC)C)C(=O)OCC3=CC=CC=C3)C.[Zn+2]

Isomeric SMILES

CCC\1=C(C(=N/C1=C\C2=C(C(=C([N-]2)C)CC)C)C(=O)OCC3=CC=CC=C3)C.CCC\1=C(C(=N/C1=C\C2=C(C(=C([N-]2)C)CC)C)C(=O)OCC3=CC=CC=C3)C.[Zn+2]

InChI

InChI=1S/2C24H28N2O2.Zn/c2*1-6-19-15(3)21(25-17(19)5)13-22-20(7-2)16(4)23(26-22)24(27)28-14-18-11-9-8-10-12-18;/h2*8-13H,6-7,14H2,1-5H3,(H,25,26,27);/q;;+2/p-2