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3-(2-ethylnonyl)-2-phenyl-quinoline-4-carboxylic acid

3-(2-ethylnonyl)-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name:3-(2-ethylnonyl)-2-phenyl-quinoline-4-carboxylic acid
Openeye Name:3-(2-ethylnonyl)-2-phenyl-quinoline-4-carboxylic acid
CAS Name:3-(2-ethylnonyl)-2-phenyl-4-quinolinecarboxylic acid
IUPAC Name:3-(2-ethylnonyl)-2-phenylquinoline-4-carboxylic acid
Traditional Name:3-(2-ethylnonyl)-2-phenyl-cinchoninic acid
Formula: C27H33NO2
MolecularWeight: 403.55642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O


Isomeric SMILES

CCCCCCCC(CC)CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O


InChI

InChI=1S/C27H33NO2/c1-3-5-6-7-9-14-20(4-2)19-23-25(27(29)30)22-17-12-13-18-24(22)28-26(23)21-15-10-8-11-16-21/h8,10-13,15-18,20H,3-7,9,14,19H2,1-2H3,(H,29,30)


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