[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H29N3O5/c1-4-17-5-7-18(8-6-17)22-21(28)15(2)29-20(27)10-9-19(26)24-13-11-23(12-14-24)16(3)25/h5-8,15H,4,9-14H2,1-3H3,(H,22,28)/t15-/m0/s1