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

Systemtic Name: 2-[(E)-2-(4-methoxy-3-methyl-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-(4-methoxy-3-methyl-phenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-(4-methoxy-3-methyl-phenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C18H15N2O7P-4 MolecularWeight: 402.294661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H16N2O3.H3O4P/c1-11-10-12(6-8-15(11)23-2)7-9-16-19-14-5-3-4-13(18(21)22)17(14)20-16;1-5(2,3)4/h3-10H,1-2H3,(H,19,20)(H,21,22);(H3,1,2,3,4)/p-4/b9-7+;