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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(thiophen-3-ylmethylamino)ethanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3-thienylmethylamino)acetic acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-thiophenylmethylamino)acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(thiophen-3-ylmethylamino)acetic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3-thenylamino)acetic acid Formula: C21H29NO3S MolecularWeight: 375.52486

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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=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c1-20(2,3)15-9-14(10-16(18(15)23)21(4,5)6)17(19(24)25)22-11-13-7-8-26-12-13/h7-10,12,17,22-23H,11H2,1-6H3,(H,24,25)