[butylamino-[3-(phenylmethyl)imidazol-4-yl]methyl]phosphonic acid

Systemtic Name: [butylamino-[3-(phenylmethyl)imidazol-4-yl]methyl]phosphonic acid Openeye Name: [(3-benzylimidazol-4-yl)-(butylamino)methyl]phosphonic acid CAS Name: [butylamino-[3-(phenylmethyl)-4-imidazolyl]methyl]phosphonic acid IUPAC Name: [(3-benzylimidazol-4-yl)-(butylamino)methyl]phosphonic acid Traditional Name: [(3-benzylimidazol-4-yl)-(butylamino)methyl]phosphonic acid Formula: C15H22N3O3P MolecularWeight: 323.327241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CN=CN1CC2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

CCCCNC(C1=CN=CN1CC2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C15H22N3O3P/c1-2-3-9-17-15(22(19,20)21)14-10-16-12-18(14)11-13-7-5-4-6-8-13/h4-8,10,12,15,17H,2-3,9,11H2,1H3,(H2,19,20,21)