[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O4/c1-14(20(26)22-12-11-15-7-3-2-4-8-15)28-19(25)13-18-16-9-5-6-10-17(16)21(27)24-23-18/h5-7,9-10,14H,2-4,8,11-13H2,1H3,(H,22,26)(H,24,27)/t14-/m1/s1