[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(5-phenylfuran-2-yl)propanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(5-phenylfuran-2-yl)propanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(5-phenyl-2-furyl)propanoate CAS Name: 3-(5-phenyl-2-furanyl)propanoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate Traditional Name: 3-(5-phenyl-2-furyl)propionic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CCC1=CC=C(O1)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCC1=CC=C(O1)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4/c1-15(2)21(3,14-22)23-19(24)13-26-20(25)12-10-17-9-11-18(27-17)16-7-5-4-6-8-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,23,24)/t21-/m0/s1