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

Systemtic Name: 3-[3-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[2-(2,2-dimethylpropyl)-3,5-diphenyl-1-pyrrolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[2-(2,2-dimethylpropyl)-3,5-diphenylpyrrol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-(2-neopentyl-3,5-diphenyl-pyrrol-1-yl)phenyl]propionic acid Formula: C30H31NO2 MolecularWeight: 437.57264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31NO2/c1-30(2,3)21-28-26(23-12-6-4-7-13-23)20-27(24-14-8-5-9-15-24)31(28)25-16-10-11-22(19-25)17-18-29(32)33/h4-16,19-20H,17-18,21H2,1-3H3,(H,32,33)