[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H27N3O5/c1-16(2)20(23-21(27)18-9-6-14-29-18)22(28)30-15-19(26)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,23,27)/t20-/m0/s1