2-[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid Openeye Name: 2-[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-5-(p-tolyl)pyrrol-1-yl]benzoic acid CAS Name: 2-[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-5-(4-methylphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 2-[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 2-[3-carbethoxy-4-(4-methoxyphenyl)-2-methyl-5-(p-tolyl)pyrrol-1-yl]benzoic acid Formula: C29H27NO5 MolecularWeight: 469.52838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C29H27NO5/c1-5-35-29(33)25-19(3)30(24-9-7-6-8-23(24)28(31)32)27(21-12-10-18(2)11-13-21)26(25)20-14-16-22(34-4)17-15-20/h6-17H,5H2,1-4H3,(H,31,32)