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

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]-2-phenyl-benzoic acid Openeye Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-2-phenyl-benzoic acid CAS Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]propyl]phenyl]-2-phenylbenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]propyl]phenyl]-2-phenylbenzoic acid Traditional Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-2-phenyl-benzoic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H28N2O3/c1-20(31-19-28(32)25-8-5-15-30-18-25)16-21-9-11-22(12-10-21)24-13-14-26(29(33)34)27(17-24)23-6-3-2-4-7-23/h2-15,17-18,20,28,31-32H,16,19H2,1H3,(H,33,34)