[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-21(2,3)17-8-10-18(11-9-17)27-14-6-7-20(26)28-15-19(25)24-22(16-23)12-4-5-13-22/h8-11H,4-7,12-15H2,1-3H3,(H,24,25)