3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1-methyl-pyrrol-2-yl]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1-methyl-pyrrol-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1-methyl-pyrrol-2-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1-methyl-2-pyrrolyl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1-methylpyrrol-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1-methyl-pyrrol-2-yl]-3-methyl-phenyl]propionic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)C2=CC=C(N2C)C3=CC(=C(C=C3)OC(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)C2=CC=C(N2C)C3=CC(=C(C=C3)OC(C)C)C#N

InChI

InChI=1S/C25H26N2O3/c1-16(2)30-24-11-7-19(14-20(24)15-26)22-9-10-23(27(22)4)21-8-5-18(13-17(21)3)6-12-25(28)29/h5,7-11,13-14,16H,6,12H2,1-4H3,(H,28,29)