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

Systemtic Name: 3-chloranyl-4-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]benzoic acid Openeye Name: 3-chloro-4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzoic acid CAS Name: 3-chloro-4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]benzoic acid IUPAC Name: 3-chloro-4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]benzoic acid Traditional Name: 3-chloro-4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzoic acid Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CNCCC2=CC=C(C=C2)C3=C(C=C(C=C3)C(=O)O)Cl)O

Isomeric SMILES

C1=CC(=CN=C1)C(CNCCC2=CC=C(C=C2)C3=C(C=C(C=C3)C(=O)O)Cl)O

InChI

InChI=1S/C22H21ClN2O3/c23-20-12-17(22(27)28)7-8-19(20)16-5-3-15(4-6-16)9-11-25-14-21(26)18-2-1-10-24-13-18/h1-8,10,12-13,21,25-26H,9,11,14H2,(H,27,28)