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

Systemtic Name: 2-[4-[(6-acetamido-2-butyl-4-methyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-acetamido-2-butyl-4-methyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-acetamido-2-butyl-4-methyl-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-acetamido-2-butyl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-acetamido-2-butyl-4-methyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC(=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC(=O)C

InChI

InChI=1S/C28H29N3O3/c1-4-5-10-26-30-27-18(2)15-22(29-19(3)32)16-25(27)31(26)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28(33)34/h6-9,11-16H,4-5,10,17H2,1-3H3,(H,29,32)(H,33,34)