[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-ethanoylphenoxy)ethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-ethanoylphenoxy)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-acetylphenoxy)acetate CAS Name: 2-(4-acetylphenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate Traditional Name: 2-(4-acetylphenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2

InChI

InChI=1S/C18H20N2O5/c1-12(21)13-3-7-15(8-4-13)24-10-17(23)25-9-16(22)20-18(2,11-19)14-5-6-14/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,20,22)/t18-/m0/s1