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

Systemtic Name: 3-[1-(5-chloranyl-2-oxidanyl-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(5-chloro-2-hydroxy-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(5-chloro-2-hydroxyphenyl)-5-(4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(5-chloro-2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(5-chloro-2-hydroxy-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propionic acid Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=C(C=CC(=C3)Cl)O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=C(C=CC(=C3)Cl)O)CCC(=O)O

InChI

InChI=1S/C20H18ClNO4/c1-26-16-7-2-13(3-8-16)17-9-5-15(6-11-20(24)25)22(17)18-12-14(21)4-10-19(18)23/h2-5,7-10,12,23H,6,11H2,1H3,(H,24,25)