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2-(5-heptylfuran-2-yl)-6-methyl-quinoline-4-carboxylic acid

2-(5-heptylfuran-2-yl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name:2-(5-heptylfuran-2-yl)-6-methyl-quinoline-4-carboxylic acid
Openeye Name:2-(5-heptyl-2-furyl)-6-methyl-quinoline-4-carboxylic acid
CAS Name:2-(5-heptyl-2-furanyl)-6-methyl-4-quinolinecarboxylic acid
IUPAC Name:2-(5-heptylfuran-2-yl)-6-methylquinoline-4-carboxylic acid
Traditional Name:2-(5-heptyl-2-furyl)-6-methyl-cinchoninic acid
Formula: C22H25NO3
MolecularWeight: 351.4388
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(O1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O


Isomeric SMILES

CCCCCCCC1=CC=C(O1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O


InChI

InChI=1S/C22H25NO3/c1-3-4-5-6-7-8-16-10-12-21(26-16)20-14-18(22(24)25)17-13-15(2)9-11-19(17)23-20/h9-14H,3-8H2,1-2H3,(H,24,25)


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