[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-19(2,3)16-9-7-15(8-10-16)18(24)25-13-17(23)22-20(14-21)11-5-4-6-12-20/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)