3-[4-[(2,5-dimethylphenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoic acid

Systemtic Name: 3-[4-[(2,5-dimethylphenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoic acid Openeye Name: 3-[4-[(2,5-dimethylphenyl)methyl]-1-oxo-phthalazin-2-yl]propanoic acid CAS Name: 3-[4-[(2,5-dimethylphenyl)methyl]-1-oxo-2-phthalazinyl]propanoic acid IUPAC Name: 3-[4-[(2,5-dimethylphenyl)methyl]-1-oxophthalazin-2-yl]propanoic acid Traditional Name: 3-[4-(2,5-dimethylbenzyl)-1-keto-phthalazin-2-yl]propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=NN(C(=O)C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=NN(C(=O)C3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C20H20N2O3/c1-13-7-8-14(2)15(11-13)12-18-16-5-3-4-6-17(16)20(25)22(21-18)10-9-19(23)24/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)