3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl (E)-3-(cyclohexylamino)but-2-enoate

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl (E)-3-(cyclohexylamino)but-2-enoate Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl (E)-3-(cyclohexylamino)but-2-enoate CAS Name: (E)-3-(cyclohexylamino)-2-butenoic acid 3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl ester IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl (E)-3-(cyclohexylamino)but-2-enoate Traditional Name: (E)-3-(cyclohexylamino)but-2-enoic acid 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl ester Formula: C27H43NO3 MolecularWeight: 429.63522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NC2CCCCC2

Isomeric SMILES

C/C(=C\C(=O)OCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/NC2CCCCC2

InChI

InChI=1S/C27H43NO3/c1-19(28-21-13-9-8-10-14-21)16-24(29)31-15-11-12-20-17-22(26(2,3)4)25(30)23(18-20)27(5,6)7/h16-18,21,28,30H,8-15H2,1-7H3/b19-16+