[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C21H29N3O4/c1-4-6-9-15(5-2)13-22-19(25)14-28-20(26)12-18-16-10-7-8-11-17(16)21(27)24(3)23-18/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,22,25)/t15-/m0/s1