[(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [(1S)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C18H21N3O6/c1-4-5-10-21-16(23)13-9-7-6-8-12(13)14(20-21)17(24)27-11(2)15(22)19-18(25)26-3/h6-9,11H,4-5,10H2,1-3H3,(H,19,22,25)/t11-/m0/s1