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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-[(1-cyanocyclopentyl)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-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c21-15-20(11-4-5-12-20)23-18(25)14-27-19(26)10-13-22-17(24)9-8-16-6-2-1-3-7-16/h1-3,6-9H,4-5,10-14H2,(H,22,24)(H,23,25)/b9-8+