2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; phosphoric acid

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; phosphoric acid Openeye Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate; phosphoric acid CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; phosphoric acid IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate; phosphoric acid Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate; phosphoric acid Formula: C20H22N2O7P- MolecularWeight: 433.371641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-].OP(=O)(O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-].OP(=O)(O)O

InChI

InChI=1S/C20H20N2O3.H3O4P/c1-2-3-13-25-15-10-7-14(8-11-15)9-12-18-21-17-6-4-5-16(20(23)24)19(17)22-18;1-5(2,3)4/h4-12H,2-3,13H2,1H3,(H,21,22)(H,23,24);(H3,1,2,3,4)/p-1/b12-9+;