3-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(2,2-dimethylpropyl)-3,5-diphenyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(2,2-dimethylpropyl)-3,5-diphenylpyrrol-1-yl]benzoic acid Traditional Name: 3-(2-neopentyl-3,5-diphenyl-pyrrol-1-yl)benzoic acid Formula: C28H27NO2 MolecularWeight: 409.51948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CC1=C(C=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27NO2/c1-28(2,3)19-26-24(20-11-6-4-7-12-20)18-25(21-13-8-5-9-14-21)29(26)23-16-10-15-22(17-23)27(30)31/h4-18H,19H2,1-3H3,(H,30,31)