3-cyanopropyl 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: 3-cyanopropyl 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: 3-cyanopropyl 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid 3-cyanopropyl ester Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCCCC#N

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCCCC#N

InChI

InChI=1S/C19H17N3O2/c1-14-21-17-13-15(19(23)24-12-6-5-11-20)9-10-18(17)22(14)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,12H2,1H3