3-[5-(4-methoxyphenyl)-1-(3-methyl-4-oxidanyl-phenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(3-methyl-4-oxidanyl-phenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-hydroxy-3-methyl-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-hydroxy-3-methylphenyl)-5-(4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-hydroxy-3-methylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-hydroxy-3-methyl-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propionic acid Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)OC)CCC(=O)O)O

InChI

InChI=1S/C21H21NO4/c1-14-13-17(6-11-20(14)23)22-16(7-12-21(24)25)5-10-19(22)15-3-8-18(26-2)9-4-15/h3-6,8-11,13,23H,7,12H2,1-2H3,(H,24,25)