2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate phosphate

Systemtic Name: 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C19H17N2O8P-4 MolecularWeight: 432.320641

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

COCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C19H18N2O4.H3O4P/c1-24-11-12-25-14-8-5-13(6-9-14)7-10-17-20-16-4-2-3-15(19(22)23)18(16)21-17;1-5(2,3)4/h2-10H,11-12H2,1H3,(H,20,21)(H,22,23);(H3,1,2,3,4)/p-4/b10-7+;