[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-tert-butylphenoxy)acetate CAS Name: 2-(2-tert-butylphenoxy)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate Traditional Name: 2-(2-tert-butylphenoxy)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H28N2O4/c1-20(2,3)16-9-5-6-10-17(16)26-14-19(25)27-13-18(24)23-21(15-22)11-7-4-8-12-21/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,23,24)