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2-ethylhexanoyl quinoline-2-carboxylate

2-ethylhexanoyl quinoline-2-carboxylate

Systemtic Name:2-ethylhexanoyl quinoline-2-carboxylate
Openeye Name:2-ethylhexanoyl quinoline-2-carboxylate
CAS Name:2-quinolinecarboxylic acid (2-ethyl-1-oxohexyl) ester
IUPAC Name:2-ethylhexanoyl quinoline-2-carboxylate
Traditional Name:quinaldic acid 2-ethylhexanoyl ester
Formula: C18H21NO3
MolecularWeight: 299.36424
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC(=O)C1=NC2=CC=CC=C2C=C1


Isomeric SMILES

CCCCC(CC)C(=O)OC(=O)C1=NC2=CC=CC=C2C=C1


InChI

InChI=1S/C18H21NO3/c1-3-5-8-13(4-2)17(20)22-18(21)16-12-11-14-9-6-7-10-15(14)19-16/h6-7,9-13H,3-5,8H2,1-2H3


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