2-[[2-butyl-6-[hexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[2-butyl-6-[hexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[2-butyl-6-[hexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[2-butyl-6-[[(hexylamino)-oxomethyl]-phenethylamino]-1-benzimidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[2-butyl-6-[hexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[2-butyl-6-[hexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C40H46N4O3 MolecularWeight: 630.81824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3CC4=CC=CC(=C4C(=O)O)C5=CC=CC=C5)CCCC

Isomeric SMILES

CCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3CC4=CC=CC(=C4C(=O)O)C5=CC=CC=C5)CCCC

InChI

InChI=1S/C40H46N4O3/c1-3-5-7-14-26-41-40(47)43(27-25-30-16-10-8-11-17-30)33-23-24-35-36(28-33)44(37(42-35)22-6-4-2)29-32-20-15-21-34(38(32)39(45)46)31-18-12-9-13-19-31/h8-13,15-21,23-24,28H,3-7,14,22,25-27,29H2,1-2H3,(H,41,47)(H,45,46)