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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(isobutylamino)-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-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C(C)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC(C)C)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C18H24N2O4/c1-13(2)11-19-17(22)12-24-18(23)14(3)20-16(21)10-9-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,19,22)(H,20,21)/b10-9+/t14-/m0/s1