5-[2-[(2-methyl-4-phenyl-butan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(2-methyl-4-phenyl-butan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[(1,1-dimethyl-3-phenyl-propyl)amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]benzoic acid IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]benzoic acid Traditional Name: 5-[2-[(1,1-dimethyl-3-phenyl-propyl)amino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)O)O

Isomeric SMILES

CC(C)(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C20H25NO4/c1-20(2,11-10-14-6-4-3-5-7-14)21-13-18(23)15-8-9-17(22)16(12-15)19(24)25/h3-9,12,18,21-23H,10-11,13H2,1-2H3,(H,24,25)