[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O6/c1-16(2)20(24-21(28)17-7-4-3-5-8-17)23(30)32-15-19(27)25-10-12-26(13-11-25)22(29)18-9-6-14-31-18/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,24,28)/t20-/m0/s1