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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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