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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-2-3-12-24-20(25)18-7-5-4-6-17(18)19(23-24)21(26)28-14-13-27-16-10-8-15(22)9-11-16/h4-11H,2-3,12-14H2,1H3