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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-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-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4/c22-16-21(12-5-2-6-13-21)24-19(26)15-28-20(27)11-14-23-18(25)10-9-17-7-3-1-4-8-17/h1,3-4,7-10H,2,5-6,11-15H2,(H,23,25)(H,24,26)/b10-9+