[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC#N)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCCC#N)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C17H19N3O4/c1-13(17(23)24-12-16(22)19-11-5-10-18)20-15(21)9-8-14-6-3-2-4-7-14/h2-4,6-9,13H,5,11-12H2,1H3,(H,19,22)(H,20,21)/b9-8+/t13-/m0/s1