3-[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-6-[(2-methyl-1-oxopropyl)amino]-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-6-(isobutyrylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C29H31N3O3/c1-5-6-12-26-31-23-15-13-21(30-28(33)18(2)3)17-25(23)32(26)24-16-14-22(20-10-8-7-9-11-20)27(19(24)4)29(34)35/h7-11,13-18H,5-6,12H2,1-4H3,(H,30,33)(H,34,35)