2-phenoxyethyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 2-phenoxyethyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-phenoxyethyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid 2-phenoxyethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-15(2)14-23-20(24)18-11-7-6-10-17(18)19(22-23)21(25)27-13-12-26-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3