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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(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:

C1CCCN(CCC1)C(=O)COC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4/c24-19(12-11-18-9-5-4-6-10-18)22-14-13-21(26)27-17-20(25)23-15-7-2-1-3-8-16-23/h4-6,9-12H,1-3,7-8,13-17H2,(H,22,24)/b12-11+