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

Systemtic Name: 3-[1-(3-chloranyl-4-methyl-phenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(3-chloro-4-methyl-phenyl)-5-(p-tolyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(3-chloro-4-methyl-phenyl)-5-(p-tolyl)pyrrol-2-yl]propionic acid Formula: C21H20ClNO2 MolecularWeight: 353.842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO2/c1-14-3-6-16(7-4-14)20-11-9-17(10-12-21(24)25)23(20)18-8-5-15(2)19(22)13-18/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)