2-(3,5-dimethylphenoxy)ethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid 2-(3,5-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=CC(=CC(=C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC(=CC(=C3)C)C

InChI

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