methyl 3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzoate

Systemtic Name: methyl 3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzoate Openeye Name: methyl 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzoate CAS Name: 3-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]benzoate Traditional Name: 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzoic acid methyl ester Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)OCC(CCC3=CN=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)OCC(CCC3=CN=CC=C3)O

InChI

InChI=1S/C23H23NO4/c1-27-23(26)20-6-2-5-19(14-20)18-8-11-22(12-9-18)28-16-21(25)10-7-17-4-3-13-24-15-17/h2-6,8-9,11-15,21,25H,7,10,16H2,1H3