2-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate

Systemtic Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C20H17N2O8P-4 MolecularWeight: 444.331341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])OCC=C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])OCC=C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C20H18N2O4.H3O4P/c1-3-11-26-16-9-7-13(12-17(16)25-2)8-10-18-21-15-6-4-5-14(20(23)24)19(15)22-18;1-5(2,3)4/h3-10,12H,1,11H2,2H3,(H,21,22)(H,23,24);(H3,1,2,3,4)/p-4/b10-8+;