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

Systemtic Name: 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-(4-benzyloxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-(4-benzoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C23H17N2O7P-4 MolecularWeight: 464.364041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC3=NC4=C(C=CC=C4N3)C(=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C3=NC4=C(C=CC=C4N3)C(=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C23H18N2O3.H3O4P/c26-23(27)19-7-4-8-20-22(19)25-21(24-20)14-11-16-9-12-18(13-10-16)28-15-17-5-2-1-3-6-17;1-5(2,3)4/h1-14H,15H2,(H,24,25)(H,26,27);(H3,1,2,3,4)/p-4/b14-11+;