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4-(4-nonylphenoxy)-3-propyl-quinoline-2-carboxylic acid

4-(4-nonylphenoxy)-3-propyl-quinoline-2-carboxylic acid

Systemtic Name:4-(4-nonylphenoxy)-3-propyl-quinoline-2-carboxylic acid
Openeye Name:4-(4-nonylphenoxy)-3-propyl-quinoline-2-carboxylic acid
CAS Name:4-(4-nonylphenoxy)-3-propyl-2-quinolinecarboxylic acid
IUPAC Name:4-(4-nonylphenoxy)-3-propylquinoline-2-carboxylic acid
Traditional Name:4-(4-nonylphenoxy)-3-propyl-quinaldic acid
Formula: C28H35NO3
MolecularWeight: 433.5824
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC2=C(C(=NC3=CC=CC=C32)C(=O)O)CCC


Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC2=C(C(=NC3=CC=CC=C32)C(=O)O)CCC


InChI

InChI=1S/C28H35NO3/c1-3-5-6-7-8-9-10-14-21-17-19-22(20-18-21)32-27-23-15-11-12-16-25(23)29-26(28(30)31)24(27)13-4-2/h11-12,15-20H,3-10,13-14H2,1-2H3,(H,30,31)


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