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

Systemtic Name: 4-[4-[2-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethoxy]-3,5-dimethyl-phenyl]-2-(4-methoxyphenoxy)-3-methyl-benzoic acid Openeye Name: 4-[4-[2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]-3,5-dimethyl-phenyl]-2-(4-methoxyphenoxy)-3-methyl-benzoic acid CAS Name: 4-[4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]-3,5-dimethylphenyl]-2-(4-methoxyphenoxy)-3-methylbenzoic acid IUPAC Name: 4-[4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]-3,5-dimethylphenyl]-2-(4-methoxyphenoxy)-3-methylbenzoic acid Traditional Name: 4-[4-[2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethoxy]-3,5-dimethyl-phenyl]-2-(4-methoxyphenoxy)-3-methyl-benzoic acid Formula: C34H37NO7 MolecularWeight: 571.66008

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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)OC4=CC=C(C=C4)OC)C

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)OC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C34H37NO7/c1-20-18-25(19-21(2)32(20)41-17-16-35-23(4)31(37)24-6-8-26(36)9-7-24)29-14-15-30(34(38)39)33(22(29)3)42-28-12-10-27(40-5)11-13-28/h6-15,18-19,23,31,35-37H,16-17H2,1-5H3,(H,38,39)/t23-,31-/m1/s1