4-[4-[2-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethoxy]-2-methyl-phenyl]-3-propyl-benzoic acid

Systemtic Name: 4-[4-[2-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethoxy]-2-methyl-phenyl]-3-propyl-benzoic acid Openeye Name: 4-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]-2-methyl-phenyl]-3-propyl-benzoic acid CAS Name: 4-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]-2-methylphenyl]-3-propylbenzoic acid IUPAC Name: 4-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]-2-methylphenyl]-3-propylbenzoic acid Traditional Name: 4-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]-2-methyl-phenyl]-3-propyl-benzoic acid Formula: C28H33NO5 MolecularWeight: 463.56532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)C2=C(C=C(C=C2)OCCNC(C)C(C3=CC=C(C=C3)O)O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)C2=C(C=C(C=C2)OCCN[C@@H](C)[C@@H](C3=CC=C(C=C3)O)O)C

InChI

InChI=1S/C28H33NO5/c1-4-5-21-17-22(28(32)33)8-12-26(21)25-13-11-24(16-18(25)2)34-15-14-29-19(3)27(31)20-6-9-23(30)10-7-20/h6-13,16-17,19,27,29-31H,4-5,14-15H2,1-3H3,(H,32,33)/t19-,27-/m0/s1