3-(4-tert-butylphenoxy)propyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: 3-(4-tert-butylphenoxy)propyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: 3-(4-tert-butylphenoxy)propyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 3-(4-tert-butylphenoxy)propyl ester IUPAC Name: 3-(4-tert-butylphenoxy)propyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid 3-(4-tert-butylphenoxy)propyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H30N2O4/c1-5-15-27-23(28)21-10-7-6-9-20(21)22(26-27)24(29)31-17-8-16-30-19-13-11-18(12-14-19)25(2,3)4/h6-7,9-14H,5,8,15-17H2,1-4H3