3-[1-(3-methoxycarbonylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(3-methoxycarbonylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(3-methoxycarbonylphenyl)-5-(p-tolyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(3-methoxycarbonylphenyl)-5-(4-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(3-methoxycarbonylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(3-carbomethoxyphenyl)-5-(p-tolyl)pyrrol-2-yl]propionic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)OC)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)OC)CCC(=O)O

InChI

InChI=1S/C22H21NO4/c1-15-6-8-16(9-7-15)20-12-10-18(11-13-21(24)25)23(20)19-5-3-4-17(14-19)22(26)27-2/h3-10,12,14H,11,13H2,1-2H3,(H,24,25)