3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propionic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-15-4-11-20(16(2)14-15)23-18(8-13-22(24)25)7-12-21(23)17-5-9-19(26-3)10-6-17/h4-7,9-12,14H,8,13H2,1-3H3,(H,24,25)