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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-20(2,3)17-9-6-16(7-10-17)8-11-19(25)26-14-18(24)23-21(15-22)12-4-5-13-21/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H,23,24)