[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(C)(C#N)C1CC1)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H19N3O4/c1-12(25-15-7-3-13(9-19)4-8-15)17(23)24-10-16(22)21-18(2,11-20)14-5-6-14/h3-4,7-8,12,14H,5-6,10H2,1-2H3,(H,21,22)/t12-,18+/m0/s1