3-[5-(3,4-dichlorophenyl)-2-methyl-3-phenyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[5-(3,4-dichlorophenyl)-2-methyl-3-phenyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[5-(3,4-dichlorophenyl)-2-methyl-3-phenyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[5-(3,4-dichlorophenyl)-2-methyl-3-phenyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[5-(3,4-dichlorophenyl)-2-methyl-3-phenylpyrrol-1-yl]benzoic acid Traditional Name: 3-[5-(3,4-dichlorophenyl)-2-methyl-3-phenyl-pyrrol-1-yl]benzoic acid Formula: C24H17Cl2NO2 MolecularWeight: 422.30328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H17Cl2NO2/c1-15-20(16-6-3-2-4-7-16)14-23(17-10-11-21(25)22(26)13-17)27(15)19-9-5-8-18(12-19)24(28)29/h2-14H,1H3,(H,28,29)