[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C22H29N3O4/c1-21(2,3)17-8-6-16(7-9-17)20(28)24-13-10-19(27)29-14-18(26)25-22(15-23)11-4-5-12-22/h6-9H,4-5,10-14H2,1-3H3,(H,24,28)(H,25,26)