4-[4-[2-methyl-2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]propyl]phenoxy]benzoic acid

Systemtic Name: 4-[4-[2-methyl-2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]propyl]phenoxy]benzoic acid Openeye Name: 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]-2-methyl-propyl]phenoxy]benzoic acid CAS Name: 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-2-methylpropyl]phenoxy]benzoic acid IUPAC Name: 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-2-methylpropyl]phenoxy]benzoic acid Traditional Name: 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]-2-methyl-propyl]phenoxy]benzoic acid Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O)NC[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO5/c1-26(2,27-17-21(28)18-31-22-6-4-3-5-7-22)16-19-8-12-23(13-9-19)32-24-14-10-20(11-15-24)25(29)30/h3-15,21,27-28H,16-18H2,1-2H3,(H,29,30)/t21-/m0/s1