[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C22H31N3O5/c1-4-17-7-6-8-18(5-2)22(17)23-19(27)15-30-21(29)10-9-20(28)25-13-11-24(12-14-25)16(3)26/h6-8H,4-5,9-15H2,1-3H3,(H,23,27)