[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C20H22N2O6/c1-12(2)18(22-19(25)16-5-4-10-27-16)20(26)28-11-17(24)21-15-8-6-14(7-9-15)13(3)23/h4-10,12,18H,11H2,1-3H3,(H,21,24)(H,22,25)/t18-/m0/s1