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

Systemtic Name: 2-[(E)-2-[4-(2-acetyloxyethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-[4-(2-acetoxyethoxy)phenyl]vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-[4-(2-acetyloxyethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-[4-(2-acetyloxyethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-[4-(2-acetoxyethoxy)phenyl]vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C20H17N2O9P-4 MolecularWeight: 460.330741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=CC=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(=O)OCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C20H18N2O5.H3O4P/c1-13(23)26-11-12-27-15-8-5-14(6-9-15)7-10-18-21-17-4-2-3-16(20(24)25)19(17)22-18;1-5(2,3)4/h2-10H,11-12H2,1H3,(H,21,22)(H,24,25);(H3,1,2,3,4)/p-4/b10-7+;