[(E)-4-[4-acetamido-5-butyl-1-(phenylmethyl)pyrrol-3-yl]hex-1-enyl]phosphonic acid

Systemtic Name: [(E)-4-[4-acetamido-5-butyl-1-(phenylmethyl)pyrrol-3-yl]hex-1-enyl]phosphonic acid Openeye Name: [(E)-4-(4-acetamido-1-benzyl-5-butyl-pyrrol-3-yl)hex-1-enyl]phosphonic acid CAS Name: [(E)-4-[4-acetamido-5-butyl-1-(phenylmethyl)-3-pyrrolyl]hex-1-enyl]phosphonic acid IUPAC Name: [(E)-4-(4-acetamido-1-benzyl-5-butylpyrrol-3-yl)hex-1-enyl]phosphonic acid Traditional Name: [(E)-4-(4-acetamido-1-benzyl-5-butyl-pyrrol-3-yl)hex-1-enyl]phosphonic acid Formula: C23H33N2O4P MolecularWeight: 432.492881

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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

Isomeric SMILES

CCCCC1=C(C(=CN1CC2=CC=CC=C2)C(CC)C/C=C/P(=O)(O)O)NC(=O)C

InChI

InChI=1S/C23H33N2O4P/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)/b15-10+