[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H29N3O5/c1-15(2)17-6-4-5-7-18(17)22-19(26)14-29-21(28)9-8-20(27)24-12-10-23(11-13-24)16(3)25/h4-7,15H,8-14H2,1-3H3,(H,22,26)