2-[3-(3-ethenyl-5-methyl-phenyl)-2H-benzimidazol-1-yl]propanedioic acid

Systemtic Name: 2-[3-(3-ethenyl-5-methyl-phenyl)-2H-benzimidazol-1-yl]propanedioic acid Openeye Name: 2-[3-(3-methyl-5-vinyl-phenyl)-2H-benzimidazol-1-yl]propanedioic acid CAS Name: 2-[3-(3-ethenyl-5-methylphenyl)-2H-benzimidazol-1-yl]propanedioic acid IUPAC Name: 2-[3-(3-ethenyl-5-methylphenyl)-2H-benzimidazol-1-yl]propanedioic acid Traditional Name: 2-[3-(3-methyl-5-vinyl-phenyl)-2H-benzimidazol-1-yl]malonic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C=C)N2CN(C3=CC=CC=C32)C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C=C)N2CN(C3=CC=CC=C32)C(C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N2O4/c1-3-13-8-12(2)9-14(10-13)20-11-21(17(18(22)23)19(24)25)16-7-5-4-6-15(16)20/h3-10,17H,1,11H2,2H3,(H,22,23)(H,24,25)