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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H33NO4 MolecularWeight: 375.50172

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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)NC2CC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C22H33NO4/c1-21(2,3)16-11-14(12-17(20(16)26)22(4,5)6)7-10-19(25)27-13-18(24)23-15-8-9-15/h11-12,15,26H,7-10,13H2,1-6H3,(H,23,24)