methyl 3-oxidanyl-2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]propanoate CAS Name: 3-hydroxy-2-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoate Traditional Name: 2-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C18H23N3O5/c1-3-4-7-10-21-17(24)13-9-6-5-8-12(13)15(20-21)16(23)19-14(11-22)18(25)26-2/h5-6,8-9,14,22H,3-4,7,10-11H2,1-2H3,(H,19,23)