methyl 3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: methyl 3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]propanoate CAS Name: 3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoate Traditional Name: 3-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]propionic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC(=O)OC

InChI

InChI=1S/C18H23N3O4/c1-3-4-7-12-21-18(24)14-9-6-5-8-13(14)16(20-21)17(23)19-11-10-15(22)25-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,19,23)