2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylpiperazin-1-yl)acetic acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methyl-1-piperazinyl)acetic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylpiperazino)acetic acid Formula: C21H34N2O3 MolecularWeight: 362.50626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)N2CCN(CC2)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)N2CCN(CC2)C

InChI

InChI=1S/C21H34N2O3/c1-20(2,3)15-12-14(13-16(18(15)24)21(4,5)6)17(19(25)26)23-10-8-22(7)9-11-23/h12-13,17,24H,8-11H2,1-7H3,(H,25,26)