3-[2-[4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-phthalazin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[2-[4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-phthalazin-1-yl]phenyl]propanoic acid Openeye Name: 3-[2-[4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-phthalazin-1-yl]phenyl]propanoic acid CAS Name: 3-[2-[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-phthalazinyl]phenyl]propanoic acid IUPAC Name: 3-[2-[4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxyphthalazin-1-yl]phenyl]propanoic acid Traditional Name: 3-[2-[4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-phthalazin-1-yl]phenyl]propionic acid Formula: C24H19Cl2N3O3 MolecularWeight: 468.33196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN=C2C3=CC=CC=C3CCC(=O)O)CC4=C(C=NC=C4Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN=C2C3=CC=CC=C3CCC(=O)O)CC4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C24H19Cl2N3O3/c1-32-15-7-8-17-18(10-15)24(16-5-3-2-4-14(16)6-9-23(30)31)29-28-22(17)11-19-20(25)12-27-13-21(19)26/h2-5,7-8,10,12-13H,6,9,11H2,1H3,(H,30,31)