2-acetamido-5-[3-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenoxy]benzoic acid

Systemtic Name: 2-acetamido-5-[3-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenoxy]benzoic acid Openeye Name: 2-acetamido-5-[3-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenoxy]benzoic acid CAS Name: 2-acetamido-5-[3-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenoxy]benzoic acid IUPAC Name: 2-acetamido-5-[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenoxy]benzoic acid Traditional Name: 2-acetamido-5-[3-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenoxy]benzoic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OC2=CC=CC(=C2)CCNCC(C3=CN=CC=C3)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OC2=CC=CC(=C2)CCNC[C@@H](C3=CN=CC=C3)O)C(=O)O

InChI

InChI=1S/C24H25N3O5/c1-16(28)27-22-8-7-20(13-21(22)24(30)31)32-19-6-2-4-17(12-19)9-11-26-15-23(29)18-5-3-10-25-14-18/h2-8,10,12-14,23,26,29H,9,11,15H2,1H3,(H,27,28)(H,30,31)/t23-/m0/s1