4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]-2-phenoxy-benzoic acid

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]-2-phenoxy-benzoic acid Openeye Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-2-phenoxy-benzoic acid CAS Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]propyl]phenyl]-2-phenoxybenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]propyl]phenyl]-2-phenoxybenzoic acid Traditional Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-2-phenoxy-benzoic acid Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)OC3=CC=CC=C3)NCC(C4=CN=CC=C4)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)OC3=CC=CC=C3)NCC(C4=CN=CC=C4)O

InChI

InChI=1S/C29H28N2O4/c1-20(31-19-27(32)24-6-5-15-30-18-24)16-21-9-11-22(12-10-21)23-13-14-26(29(33)34)28(17-23)35-25-7-3-2-4-8-25/h2-15,17-18,20,27,31-32H,16,19H2,1H3,(H,33,34)