2-[[2-butyl-6-[[4-(cyclohexylamino)-4-oxidanylidene-butyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[2-butyl-6-[[4-(cyclohexylamino)-4-oxidanylidene-butyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[2-butyl-6-[[4-(cyclohexylamino)-4-oxo-butyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[2-butyl-6-[[4-(cyclohexylamino)-4-oxobutyl]amino]-1-benzimidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[2-butyl-6-[[4-(cyclohexylamino)-4-oxobutyl]amino]benzimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[2-butyl-6-[[4-(cyclohexylamino)-4-keto-butyl]amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C35H42N4O3 MolecularWeight: 566.73298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NCCCC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)NCCCC(=O)NC5CCCCC5

InChI

InChI=1S/C35H42N4O3/c1-2-3-18-32-38-30-21-20-28(36-22-11-19-33(40)37-27-15-8-5-9-16-27)23-31(30)39(32)24-26-14-10-17-29(34(26)35(41)42)25-12-6-4-7-13-25/h4,6-7,10,12-14,17,20-21,23,27,36H,2-3,5,8-9,11,15-16,18-19,22,24H2,1H3,(H,37,40)(H,41,42)