[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H29N3O5/c1-16-5-3-4-6-18(16)9-10-22-19(26)15-29-21(28)8-7-20(27)24-13-11-23(12-14-24)17(2)25/h3-6H,7-15H2,1-2H3,(H,22,26)