2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(pyridin-4-ylmethylamino)ethanoic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(pyridin-4-ylmethylamino)ethanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-pyridylmethylamino)acetic acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(pyridin-4-ylmethylamino)acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(pyridin-4-ylmethylamino)acetic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-pyridylmethylamino)acetic acid Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NCC2=CC=NC=C2

InChI

InChI=1S/C22H30N2O3/c1-21(2,3)16-11-15(12-17(19(16)25)22(4,5)6)18(20(26)27)24-13-14-7-9-23-10-8-14/h7-12,18,24-25H,13H2,1-6H3,(H,26,27)