[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C27H32N2O4/c1-26(2,3)22-11-13-23(14-12-22)32-17-20-7-9-21(10-8-20)25(31)33-18-24(30)29-27(19-28)15-5-4-6-16-27/h7-14H,4-6,15-18H2,1-3H3,(H,29,30)