magnesium N-[2-butyl-1-(phenylmethyl)-4-[(E)-6-phosphonatohex-5-en-3-yl]pyrrol-3-yl]ethanamide

Systemtic Name: magnesium N-[2-butyl-1-(phenylmethyl)-4-[(E)-6-phosphonatohex-5-en-3-yl]pyrrol-3-yl]ethanamide Openeye Name: magnesium N-[1-benzyl-2-butyl-4-[(E)-1-ethyl-4-phosphonato-but-3-enyl]pyrrol-3-yl]acetamide CAS Name: magnesium N-[2-butyl-1-(phenylmethyl)-4-[(E)-6-phosphonatohex-5-en-3-yl]-3-pyrrolyl]acetamide IUPAC Name: magnesium N-[1-benzyl-2-butyl-4-[(E)-6-phosphonatohex-5-en-3-yl]pyrrol-3-yl]acetamide Traditional Name: magnesium N-[1-benzyl-2-butyl-4-[(E)-1-ethyl-4-phosphonato-but-3-enyl]pyrrol-3-yl]acetamide Formula: C23H31MgN2O4P MolecularWeight: 454.782001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N2O4P.Mg/c1-4-6-14-22-23(24-18(3)26)21(20(5-2)13-10-15-30(27,28)29)17-25(22)16-19-11-8-7-9-12-19;/h7-12,15,17,20H,4-6,13-14,16H2,1-3H3,(H,24,26)(H2,27,28,29);/q;+2/p-2/b15-10+;