ethanoic acid; methyl 5-(1H-benzimidazol-2-yl)-2-methyl-6-phenyl-pyridine-3-carboxylate

Systemtic Name: ethanoic acid; methyl 5-(1H-benzimidazol-2-yl)-2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: acetic acid; methyl 5-(1H-benzimidazol-2-yl)-2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: acetic acid; 5-(1H-benzimidazol-2-yl)-2-methyl-6-phenyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: acetic acid; methyl 5-(1H-benzimidazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: acetic acid; 5-(1H-benzimidazol-2-yl)-2-methyl-6-phenyl-nicotinic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3)C(=O)OC.CC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=N1)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3)C(=O)OC.CC(=O)O

InChI

InChI=1S/C21H17N3O2.C2H4O2/c1-13-15(21(25)26-2)12-16(19(22-13)14-8-4-3-5-9-14)20-23-17-10-6-7-11-18(17)24-20;1-2(3)4/h3-12H,1-2H3,(H,23,24);1H3,(H,3,4)