2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylamino]ethanoic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylamino]ethanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(4-hydroxy-3-methoxy-phenyl)methylamino]acetic acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(vanillylamino)acetic acid Formula: C24H33NO5 MolecularWeight: 415.52252

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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(=C(C=C2)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO5/c1-23(2,3)16-11-15(12-17(21(16)27)24(4,5)6)20(22(28)29)25-13-14-8-9-18(26)19(10-14)30-7/h8-12,20,25-27H,13H2,1-7H3,(H,28,29)