2-[[2-butyl-6-(2-phenylazanylethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[2-butyl-6-(2-phenylazanylethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[6-(2-anilinoethylcarbamoyl)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[6-[(2-anilinoethylamino)-oxomethyl]-2-butyl-1-benzimidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[6-(2-anilinoethylcarbamoyl)-2-butylbenzimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[6-(2-anilinoethylcarbamoyl)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C34H34N4O3 MolecularWeight: 546.65876

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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)C(=O)NCCNC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)C=C(C=C2)C(=O)NCCNC5=CC=CC=C5

InChI

InChI=1S/C34H34N4O3/c1-2-3-17-31-37-29-19-18-25(33(39)36-21-20-35-27-14-8-5-9-15-27)22-30(29)38(31)23-26-13-10-16-28(32(26)34(40)41)24-11-6-4-7-12-24/h4-16,18-19,22,35H,2-3,17,20-21,23H2,1H3,(H,36,39)(H,40,41)