2-butan-2-yl-4-[4-[2-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethoxy]phenyl]benzoic acid

Systemtic Name: 2-butan-2-yl-4-[4-[2-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethoxy]phenyl]benzoic acid Openeye Name: 4-[4-[2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]phenyl]-2-sec-butyl-benzoic acid CAS Name: 2-butan-2-yl-4-[4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]phenyl]benzoic acid IUPAC Name: 2-butan-2-yl-4-[4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]phenyl]benzoic acid Traditional Name: 4-[4-[2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]phenyl]-2-sec-butyl-benzoic acid Formula: C28H33NO5 MolecularWeight: 463.56532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)C2=CC=C(C=C2)OCCNC(C)C(C3=CC=C(C=C3)O)O)C(=O)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)C2=CC=C(C=C2)OCCN[C@H](C)[C@H](C3=CC=C(C=C3)O)O)C(=O)O

InChI

InChI=1S/C28H33NO5/c1-4-18(2)26-17-22(9-14-25(26)28(32)33)20-7-12-24(13-8-20)34-16-15-29-19(3)27(31)21-5-10-23(30)11-6-21/h5-14,17-19,27,29-31H,4,15-16H2,1-3H3,(H,32,33)/t18?,19-,27-/m1/s1