methyl 2-methoxy-5-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]methyl]benzoate Traditional Name: 5-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C22H23N3O5/c1-4-11-25-21(27)16-8-6-5-7-15(16)19(24-25)20(26)23-13-14-9-10-18(29-2)17(12-14)22(28)30-3/h5-10,12H,4,11,13H2,1-3H3,(H,23,26)