3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; 2,2,4,6,6-pentamethylpiperidine

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; 2,2,4,6,6-pentamethylpiperidine Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid; 2,2,4,6,6-pentamethylpiperidine CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2,2,4,6,6-pentamethylpiperidine IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2,2,4,6,6-pentamethylpiperidine Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid; 2,2,4,6,6-pentamethylpiperidine Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(C1)(C)C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

Isomeric SMILES

CC1CC(NC(C1)(C)C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C17H26O3.C10H21N/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-8-6-9(2,3)11-10(4,5)7-8/h9-10,20H,7-8H2,1-6H3,(H,18,19);8,11H,6-7H2,1-5H3