O1-ethyl O4-methyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-2-oxidanylidene-butanedioate

Systemtic Name: O1-ethyl O4-methyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-2-oxidanylidene-butanedioate Openeye Name: O1-ethyl O4-methyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-2-oxo-butanedioate CAS Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-2-oxobutanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-2-oxobutanedioate Traditional Name: 3-[2-(2-imidazolin-2-yl)-1H-phthalazin-1-yl]-2-keto-succinic acid O1-ethyl ester O4-methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(C1C2=CC=CC=C2C=NN1C3=NCCN3)C(=O)OC

Isomeric SMILES

CCOC(=O)C(=O)C(C1C2=CC=CC=C2C=NN1C3=NCCN3)C(=O)OC

InChI

InChI=1S/C18H20N4O5/c1-3-27-17(25)15(23)13(16(24)26-2)14-12-7-5-4-6-11(12)10-21-22(14)18-19-8-9-20-18/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,19,20)