2-(2,6-dimethylphenoxy)ethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=C(C=CC=C3C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H24N2O4/c1-4-12-24-21(25)18-11-6-5-10-17(18)19(23-24)22(26)28-14-13-27-20-15(2)8-7-9-16(20)3/h5-11H,4,12-14H2,1-3H3