[5-bromanyl-2-butyl-3-(phenylmethoxymethyl)imidazol-4-yl]phosphonic acid

Systemtic Name: [5-bromanyl-2-butyl-3-(phenylmethoxymethyl)imidazol-4-yl]phosphonic acid Openeye Name: [3-(benzyloxymethyl)-5-bromo-2-butyl-imidazol-4-yl]phosphonic acid CAS Name: [5-bromo-2-butyl-3-(phenylmethoxymethyl)-4-imidazolyl]phosphonic acid IUPAC Name: [5-bromo-2-butyl-3-(phenylmethoxymethyl)imidazol-4-yl]phosphonic acid Traditional Name: [3-(benzoxymethyl)-5-bromo-2-butyl-imidazol-4-yl]phosphonic acid Formula: C15H20BrN2O4P MolecularWeight: 403.208061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1COCC2=CC=CC=C2)P(=O)(O)O)Br

Isomeric SMILES

CCCCC1=NC(=C(N1COCC2=CC=CC=C2)P(=O)(O)O)Br

InChI

InChI=1S/C15H20BrN2O4P/c1-2-3-9-13-17-14(16)15(23(19,20)21)18(13)11-22-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H2,19,20,21)