[2-butyl-1-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid

Systemtic Name: [2-butyl-1-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid Openeye Name: [2-butyl-1-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid CAS Name: [2-butyl-1-[[1-(2-cyanophenyl)-4-indolyl]methyl]-4-imidazolyl]phosphonic acid IUPAC Name: [2-butyl-1-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid Traditional Name: [2-butyl-1-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid Formula: C23H23N4O3P MolecularWeight: 434.427481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)P(=O)(O)O

Isomeric SMILES

CCCCC1=NC(=CN1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)P(=O)(O)O

InChI

InChI=1S/C23H23N4O3P/c1-2-3-11-22-25-23(31(28,29)30)16-26(22)15-18-8-6-10-21-19(18)12-13-27(21)20-9-5-4-7-17(20)14-24/h4-10,12-13,16H,2-3,11,15H2,1H3,(H2,28,29,30)