[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C26H38N2O4/c1-24(2,3)19-14-18(15-20(23(19)31)25(4,5)6)10-11-22(30)32-16-21(29)28-26(17-27)12-8-7-9-13-26/h14-15,31H,7-13,16H2,1-6H3,(H,28,29)