4-[4-[2-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethoxy]-3,5-dimethyl-phenyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[4-[2-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethoxy]-3,5-dimethyl-phenyl]-3-methoxy-benzoic acid Openeye Name: 4-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]-3,5-dimethyl-phenyl]-3-methoxy-benzoic acid CAS Name: 4-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]-3,5-dimethylphenyl]-3-methoxybenzoic acid IUPAC Name: 4-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]-3,5-dimethylphenyl]-3-methoxybenzoic acid Traditional Name: 4-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]-3,5-dimethyl-phenyl]-3-methoxy-benzoic acid Formula: C27H31NO6 MolecularWeight: 465.53814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCNC(C)C(C2=CC=C(C=C2)O)O)C)C3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OCCN[C@@H](C)[C@@H](C2=CC=C(C=C2)O)O)C)C3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C27H31NO6/c1-16-13-21(23-10-7-20(27(31)32)15-24(23)33-4)14-17(2)26(16)34-12-11-28-18(3)25(30)19-5-8-22(29)9-6-19/h5-10,13-15,18,25,28-30H,11-12H2,1-4H3,(H,31,32)/t18-,25-/m0/s1