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

Systemtic Name: 3-[5-(4-chlorophenyl)-1-(4-ethoxycarbonyl-3-oxidanyl-phenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-chlorophenyl)-1-(4-ethoxycarbonyl-3-hydroxy-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-chlorophenyl)-1-(4-ethoxycarbonyl-3-hydroxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-chlorophenyl)-1-(4-ethoxycarbonyl-3-hydroxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-carbethoxy-3-hydroxy-phenyl)-5-(4-chlorophenyl)pyrrol-2-yl]propionic acid Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5/c1-2-29-22(28)18-10-7-17(13-20(18)25)24-16(9-12-21(26)27)8-11-19(24)14-3-5-15(23)6-4-14/h3-8,10-11,13,25H,2,9,12H2,1H3,(H,26,27)