methyl 2-butyl-3-[4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[4-(2-cyano-1-pyrrolyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)N4C=CC=C4C#N)C(=O)OC)C

Isomeric SMILES

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)N4C=CC=C4C#N)C(=O)OC)C

InChI

InChI=1S/C25H26N4O2/c1-4-5-11-23-27(2)22-10-6-9-21(25(30)31-3)24(22)29(23)19-14-12-18(13-15-19)28-16-7-8-20(28)17-26/h6-10,12-16,23H,4-5,11H2,1-3H3