3-[2-(2,5-dimethylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(2,5-dimethylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2,5-dimethylphenoxy)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2,5-dimethylphenoxy)ethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2,5-dimethylphenoxy)ethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2,5-dimethylphenoxy)ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H18N2O4/c1-12-7-8-13(2)16(11-12)25-10-9-21-18(22)15-6-4-3-5-14(15)17(20-21)19(23)24/h3-8,11H,9-10H2,1-2H3,(H,23,24)