methyl 2-butyl-3-[[4-(3-cyanoquinolin-4-yl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-(3-cyanoquinolin-4-yl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(3-cyano-4-quinolyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(3-cyano-4-quinolinyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(3-cyanoquinolin-4-yl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(3-cyano-4-quinolyl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C30H26N4O2 MolecularWeight: 474.55304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=C(C=NC5=CC=CC=C54)C#N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=C(C=NC5=CC=CC=C54)C#N)C(=O)OC

InChI

InChI=1S/C30H26N4O2/c1-3-4-12-27-33-26-11-7-9-24(30(35)36-2)29(26)34(27)19-20-13-15-21(16-14-20)28-22(17-31)18-32-25-10-6-5-8-23(25)28/h5-11,13-16,18H,3-4,12,19H2,1-2H3