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

Systemtic Name: 3-[1-(2,2-dimethylpropyl)-5-methyl-3,4-diphenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(2,2-dimethylpropyl)-5-methyl-3,4-diphenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(2,2-dimethylpropyl)-5-methyl-3,4-diphenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(2,2-dimethylpropyl)-5-methyl-3,4-diphenylpyrrol-2-yl]propanoic acid Traditional Name: 3-(5-methyl-1-neopentyl-3,4-diphenyl-pyrrol-2-yl)propionic acid Formula: C25H29NO2 MolecularWeight: 375.50326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC(C)(C)C)CCC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC(C)(C)C)CCC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO2/c1-18-23(19-11-7-5-8-12-19)24(20-13-9-6-10-14-20)21(15-16-22(27)28)26(18)17-25(2,3)4/h5-14H,15-17H2,1-4H3,(H,27,28)