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

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-[4-(pyridin-3-ylamino)phenyl]pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-methoxyphenyl)-1-[4-(3-pyridylamino)phenyl]pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-methoxyphenyl)-1-[4-(3-pyridinylamino)phenyl]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-methoxyphenyl)-1-[4-(pyridin-3-ylamino)phenyl]pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-methoxyphenyl)-1-[4-(3-pyridylamino)phenyl]pyrrol-2-yl]propionic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)NC4=CN=CC=C4)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)NC4=CN=CC=C4)CCC(=O)O

InChI

InChI=1S/C25H23N3O3/c1-31-23-12-4-18(5-13-23)24-14-10-22(11-15-25(29)30)28(24)21-8-6-19(7-9-21)27-20-3-2-16-26-17-20/h2-10,12-14,16-17,27H,11,15H2,1H3,(H,29,30)