3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid

Systemtic Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid Openeye Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]benzoic acid CAS Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid IUPAC Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid Traditional Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]benzoic acid Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1