2-[4-[[6-(dimethylaminomethyl)-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[6-(dimethylaminomethyl)-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(dimethylaminomethyl)-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-(dimethylaminomethyl)-4-methyl-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(dimethylaminomethyl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(dimethylaminomethyl)-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CN(C)C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CN(C)C)C

InChI

InChI=1S/C28H31N3O2/c1-5-8-26-29-27-19(2)15-21(17-30(3)4)16-25(27)31(26)18-20-11-13-22(14-12-20)23-9-6-7-10-24(23)28(32)33/h6-7,9-16H,5,8,17-18H2,1-4H3,(H,32,33)