3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-4-keto-phthalazine-1-carboxylate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-13(2)16-9-8-15(12-14(16)3)27-11-10-23-20(24)18-7-5-4-6-17(18)19(22-23)21(25)26/h4-9,12-13H,10-11H2,1-3H3,(H,25,26)/p-1