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

Systemtic Name: 2-methyl-4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-2-methyl-benzoic acid CAS Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]propyl]phenyl]-2-methylbenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]propyl]phenyl]-2-methylbenzoic acid Traditional Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]-2-methyl-benzoic acid Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-16-12-20(9-10-22(16)24(28)29)19-7-5-18(6-8-19)13-17(2)26-15-23(27)21-4-3-11-25-14-21/h3-12,14,17,23,26-27H,13,15H2,1-2H3,(H,28,29)