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

Systemtic Name: 2-ethoxy-4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 2-ethoxy-4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]benzoic acid CAS Name: 2-ethoxy-4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]propyl]phenyl]benzoic acid IUPAC Name: 2-ethoxy-4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]propyl]phenyl]benzoic acid Traditional Name: 2-ethoxy-4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CN=CC=C3)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CN=CC=C3)O)C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-3-31-24-14-20(10-11-22(24)25(29)30)19-8-6-18(7-9-19)13-17(2)27-16-23(28)21-5-4-12-26-15-21/h4-12,14-15,17,23,27-28H,3,13,16H2,1-2H3,(H,29,30)