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

Systemtic Name: 3-methoxy-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-methoxy-benzoic acid CAS Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-3-methoxybenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]-3-methoxybenzoic acid Traditional Name: 4-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-3-methoxy-benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O

InChI

InChI=1S/C23H24N2O4/c1-29-22-13-18(23(27)28)8-9-20(22)17-6-4-16(5-7-17)10-12-25-15-21(26)19-3-2-11-24-14-19/h2-9,11,13-14,21,25-26H,10,12,15H2,1H3,(H,27,28)