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3-[2-[7-(1-oxidanylnonyl)quinolin-2-yl]ethyl]benzoic acid

3-[2-[7-(1-oxidanylnonyl)quinolin-2-yl]ethyl]benzoic acid

Systemtic Name:3-[2-[7-(1-oxidanylnonyl)quinolin-2-yl]ethyl]benzoic acid
Openeye Name:3-[2-[7-(1-hydroxynonyl)-2-quinolyl]ethyl]benzoic acid
CAS Name:3-[2-[7-(1-hydroxynonyl)-2-quinolinyl]ethyl]benzoic acid
IUPAC Name:3-[2-[7-(1-hydroxynonyl)quinolin-2-yl]ethyl]benzoic acid
Traditional Name:3-[2-[7-(1-hydroxynonyl)-2-quinolyl]ethyl]benzoic acid
Formula: C27H33NO3
MolecularWeight: 419.55582
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=CC2=C(C=C1)C=CC(=N2)CCC3=CC=CC(=C3)C(=O)O)O


Isomeric SMILES

CCCCCCCCC(C1=CC2=C(C=C1)C=CC(=N2)CCC3=CC=CC(=C3)C(=O)O)O


InChI

InChI=1S/C27H33NO3/c1-2-3-4-5-6-7-11-26(29)22-14-13-21-15-17-24(28-25(21)19-22)16-12-20-9-8-10-23(18-20)27(30)31/h8-10,13-15,17-19,26,29H,2-7,11-12,16H2,1H3,(H,30,31)


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