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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(dipyridin-3-ylmethylamino)ethanoic acid Openeye Name: 2-[bis(3-pyridyl)methylamino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid CAS Name: 2-[bis(3-pyridinyl)methylamino]-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(dipyridin-3-ylmethylamino)acetic acid Traditional Name: 2-[bis(3-pyridyl)methylamino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid Formula: C27H33N3O3 MolecularWeight: 447.56922

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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)NC(C2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)NC(C2=CN=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C27H33N3O3/c1-26(2,3)20-13-19(14-21(24(20)31)27(4,5)6)23(25(32)33)30-22(17-9-7-11-28-15-17)18-10-8-12-29-16-18/h7-16,22-23,30-31H,1-6H3,(H,32,33)