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

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-[(1-cyanocycloheptyl)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-cyanocycloheptyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c23-17-22(13-6-1-2-7-14-22)25-20(27)16-29-21(28)12-15-24-19(26)11-10-18-8-4-3-5-9-18/h3-5,8-11H,1-2,6-7,12-16H2,(H,24,26)(H,25,27)/b11-10+