[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H20N2O5/c1-13(24)14-3-5-15(6-4-14)17-9-10-18(28-17)20(26)27-11-19(25)23-21(2,12-22)16-7-8-16/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,23,25)/t21-/m1/s1