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

Systemtic Name: 3-[1-(2-acetyloxy-5-chloranyl-phenyl)-5-(4-chlorophenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(2-acetoxy-5-chloro-phenyl)-5-(4-chlorophenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(2-acetyloxy-5-chlorophenyl)-5-(4-chlorophenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(2-acetyloxy-5-chlorophenyl)-5-(4-chlorophenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(2-acetoxy-5-chloro-phenyl)-5-(4-chlorophenyl)pyrrol-2-yl]propionic acid Formula: C21H17Cl2NO4 MolecularWeight: 418.26998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)Cl)N2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)Cl)N2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C21H17Cl2NO4/c1-13(25)28-20-10-6-16(23)12-19(20)24-17(8-11-21(26)27)7-9-18(24)14-2-4-15(22)5-3-14/h2-7,9-10,12H,8,11H2,1H3,(H,26,27)