2-(2-chloranylphenoxy)ethyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 2-(2-chloranylphenoxy)ethyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(2-chlorophenoxy)ethyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid 2-(2-chlorophenoxy)ethyl ester IUPAC Name: 2-(2-chlorophenoxy)ethyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid 2-(2-chlorophenoxy)ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O4/c1-14(2)13-24-20(25)16-8-4-3-7-15(16)19(23-24)21(26)28-12-11-27-18-10-6-5-9-17(18)22/h3-10,14H,11-13H2,1-2H3