[2-[[4-acetamido-5-butyl-1-(phenylmethyl)pyrrol-3-yl]methyl]-3-ethyl-phenyl]phosphonic acid

Systemtic Name: [2-[[4-acetamido-5-butyl-1-(phenylmethyl)pyrrol-3-yl]methyl]-3-ethyl-phenyl]phosphonic acid Openeye Name: [2-[(4-acetamido-1-benzyl-5-butyl-pyrrol-3-yl)methyl]-3-ethyl-phenyl]phosphonic acid CAS Name: [2-[[4-acetamido-5-butyl-1-(phenylmethyl)-3-pyrrolyl]methyl]-3-ethylphenyl]phosphonic acid IUPAC Name: [2-[(4-acetamido-1-benzyl-5-butylpyrrol-3-yl)methyl]-3-ethylphenyl]phosphonic acid Traditional Name: [2-[(4-acetamido-1-benzyl-5-butyl-pyrrol-3-yl)methyl]-3-ethyl-phenyl]phosphonic acid Formula: C26H33N2O4P MolecularWeight: 468.524981

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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

Isomeric SMILES

CCCCC1=C(C(=CN1CC2=CC=CC=C2)CC3=C(C=CC=C3P(=O)(O)O)CC)NC(=O)C

InChI

InChI=1S/C26H33N2O4P/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)