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

Systemtic Name: 3-methyl-4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-3-methyl-benzoic acid CAS Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-3-methylbenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]-3-methylbenzoic acid Traditional Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-3-methyl-benzoic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O

InChI

InChI=1S/C23H24N2O3/c1-16-13-19(23(27)28)8-9-21(16)18-6-4-17(5-7-18)10-12-25-15-22(26)20-3-2-11-24-14-20/h2-9,11,13-14,22,25-26H,10,12,15H2,1H3,(H,27,28)