[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C20H27N3O5/c1-14-10-15(2)12-17(11-14)21-18(25)13-28-20(27)5-4-19(26)23-8-6-22(7-9-23)16(3)24/h10-12H,4-9,13H2,1-3H3,(H,21,25)