4-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]-2-phenoxy-benzoic acid

Systemtic Name: 4-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]-2-phenoxy-benzoic acid Openeye Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-2-phenoxy-benzoic acid CAS Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-phenoxybenzoic acid IUPAC Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-phenoxybenzoic acid Traditional Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-2-phenoxy-benzoic acid Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)C3=CC(=C(C=C3)C(=O)O)OC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)C3=CC(=C(C=C3)C(=O)O)OC4=CC=CC=C4)O

InChI

InChI=1S/C29H27NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/h1-16,19,27,30-31H,17-18,20H2,(H,32,33)/t27-/m0/s1