3-(2-butyl-6-piperidin-1-yl-benzimidazol-1-yl)-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-(2-butyl-6-piperidin-1-yl-benzimidazol-1-yl)-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-6-(1-piperidyl)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-6-(1-piperidinyl)-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-(2-butyl-6-piperidin-1-ylbenzimidazol-1-yl)-2-methyl-6-phenylbenzoic acid Traditional Name: 3-(2-butyl-6-piperidino-benzimidazol-1-yl)-2-methyl-6-phenyl-benzoic acid Formula: C30H33N3O2 MolecularWeight: 467.60192

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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)N5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)N5CCCCC5

InChI

InChI=1S/C30H33N3O2/c1-3-4-13-28-31-25-16-14-23(32-18-9-6-10-19-32)20-27(25)33(28)26-17-15-24(22-11-7-5-8-12-22)29(21(26)2)30(34)35/h5,7-8,11-12,14-17,20H,3-4,6,9-10,13,18-19H2,1-2H3,(H,34,35)