magnesium N-[2-butyl-4-[(2-ethyl-6-phosphonato-phenyl)methyl]-1-(phenylmethyl)pyrrol-3-yl]ethanamide

Systemtic Name: magnesium N-[2-butyl-4-[(2-ethyl-6-phosphonato-phenyl)methyl]-1-(phenylmethyl)pyrrol-3-yl]ethanamide Openeye Name: magnesium N-[1-benzyl-2-butyl-4-[(2-ethyl-6-phosphonato-phenyl)methyl]pyrrol-3-yl]acetamide CAS Name: magnesium N-[2-butyl-4-[(2-ethyl-6-phosphonatophenyl)methyl]-1-(phenylmethyl)-3-pyrrolyl]acetamide IUPAC Name: magnesium N-[1-benzyl-2-butyl-4-[(2-ethyl-6-phosphonatophenyl)methyl]pyrrol-3-yl]acetamide Traditional Name: magnesium N-[1-benzyl-2-butyl-4-(2-ethyl-6-phosphonato-benzyl)pyrrol-3-yl]acetamide Formula: C26H31MgN2O4P MolecularWeight: 490.814101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CN1CC2=CC=CC=C2)CC3=C(C=CC=C3P(=O)([O-])[O-])CC)NC(=O)C.[Mg+2]

Isomeric SMILES

CCCCC1=C(C(=CN1CC2=CC=CC=C2)CC3=C(C=CC=C3P(=O)([O-])[O-])CC)NC(=O)C.[Mg+2]

InChI

InChI=1S/C26H33N2O4P.Mg/c1-4-6-14-24-26(27-19(3)29)22(18-28(24)17-20-11-8-7-9-12-20)16-23-21(5-2)13-10-15-25(23)33(30,31)32;/h7-13,15,18H,4-6,14,16-17H2,1-3H3,(H,27,29)(H2,30,31,32);/q;+2/p-2