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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O)C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-2-14-31-24-15-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-17-23(28)21-4-3-12-26-16-21/h3-10,12,15-16,23,27-28H,2,11,13-14,17H2,1H3,(H,29,30)