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

Systemtic Name: 3-[1-(3-chloranyl-4-methoxy-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(3-chloro-4-methoxy-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(3-chloro-4-methoxyphenyl)-5-(4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(3-chloro-4-methoxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(3-chloro-4-methoxy-phenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propionic acid Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4/c1-26-17-8-3-14(4-9-17)19-10-5-15(7-12-21(24)25)23(19)16-6-11-20(27-2)18(22)13-16/h3-6,8-11,13H,7,12H2,1-2H3,(H,24,25)