3-[1-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(4-tert-butylphenoxy)ethyl]-5-(p-tolyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(4-tert-butylphenoxy)ethyl]-5-(p-tolyl)pyrrol-2-yl]propionic acid Formula: C26H31NO3 MolecularWeight: 405.52924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2CCOC3=CC=C(C=C3)C(C)(C)C)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2CCOC3=CC=C(C=C3)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C26H31NO3/c1-19-5-7-20(8-6-19)24-15-11-22(12-16-25(28)29)27(24)17-18-30-23-13-9-21(10-14-23)26(2,3)4/h5-11,13-15H,12,16-18H2,1-4H3,(H,28,29)