[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(azocan-1-yl)-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-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4/c1-17(22-19(24)13-12-18-10-6-5-7-11-18)21(26)27-16-20(25)23-14-8-3-2-4-9-15-23/h5-7,10-13,17H,2-4,8-9,14-16H2,1H3,(H,22,24)/b13-12+/t17-/m0/s1