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

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]-2-phenoxy-benzoic acid Openeye Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-2-phenoxy-benzoic acid CAS Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-2-phenoxybenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]-2-phenoxybenzoic acid Traditional Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-2-phenoxy-benzoic acid Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CN=CC=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CN=CC=C4)O)C(=O)O

InChI

InChI=1S/C28H26N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h1-13,15,17-18,26,30-31H,14,16,19H2,(H,32,33)