4-[4-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]phenyl]butanoic acid

Systemtic Name: 4-[4-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]phenyl]butanoic acid Openeye Name: 4-[4-[2-(2,2-dimethylpropyl)-3,5-diphenyl-pyrrol-1-yl]phenyl]butanoic acid CAS Name: 4-[4-[2-(2,2-dimethylpropyl)-3,5-diphenyl-1-pyrrolyl]phenyl]butanoic acid IUPAC Name: 4-[4-[2-(2,2-dimethylpropyl)-3,5-diphenylpyrrol-1-yl]phenyl]butanoic acid Traditional Name: 4-[4-(2-neopentyl-3,5-diphenyl-pyrrol-1-yl)phenyl]butyric acid Formula: C31H33NO2 MolecularWeight: 451.59922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO2/c1-31(2,3)22-29-27(24-12-6-4-7-13-24)21-28(25-14-8-5-9-15-25)32(29)26-19-17-23(18-20-26)11-10-16-30(33)34/h4-9,12-15,17-21H,10-11,16,22H2,1-3H3,(H,33,34)