[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-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-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CO2

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-4-6-19(26)23-16-10-8-15(9-11-16)17(25)13-30-22(28)20(14(2)3)24-21(27)18-7-5-12-29-18/h5,7-12,14,20H,4,6,13H2,1-3H3,(H,23,26)(H,24,27)/t20-/m0/s1