3-[2-[6-[3-(3-butoxyphenyl)-3-oxidanyl-propyl]pyridin-2-yl]-1-oxidanyl-ethyl]benzoic acid

Systemtic Name: 3-[2-[6-[3-(3-butoxyphenyl)-3-oxidanyl-propyl]pyridin-2-yl]-1-oxidanyl-ethyl]benzoic acid Openeye Name: 3-[2-[6-[3-(3-butoxyphenyl)-3-hydroxy-propyl]-2-pyridyl]-1-hydroxy-ethyl]benzoic acid CAS Name: 3-[2-[6-[3-(3-butoxyphenyl)-3-hydroxypropyl]-2-pyridinyl]-1-hydroxyethyl]benzoic acid IUPAC Name: 3-[2-[6-[3-(3-butoxyphenyl)-3-hydroxypropyl]pyridin-2-yl]-1-hydroxyethyl]benzoic acid Traditional Name: 3-[2-[6-[3-(3-butoxyphenyl)-3-hydroxy-propyl]-2-pyridyl]-1-hydroxy-ethyl]benzoic acid Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(CCC2=NC(=CC=C2)CC(C3=CC=CC(=C3)C(=O)O)O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(CCC2=NC(=CC=C2)CC(C3=CC=CC(=C3)C(=O)O)O)O

InChI

InChI=1S/C27H31NO5/c1-2-3-15-33-24-12-5-8-20(17-24)25(29)14-13-22-10-6-11-23(28-22)18-26(30)19-7-4-9-21(16-19)27(31)32/h4-12,16-17,25-26,29-30H,2-3,13-15,18H2,1H3,(H,31,32)