[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)ethanoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C18H21N3O4/c1-12(22)20-15-7-3-13(4-8-15)9-17(24)25-10-16(23)21-18(2,11-19)14-5-6-14/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,20,22)(H,21,23)/t18-/m1/s1