6-butyl-4-(4-nonylphenoxy)quinoline-2-carboxylic acid

Systemtic Name: 6-butyl-4-(4-nonylphenoxy)quinoline-2-carboxylic acid Openeye Name: 6-butyl-4-(4-nonylphenoxy)quinoline-2-carboxylic acid CAS Name: 6-butyl-4-(4-nonylphenoxy)-2-quinolinecarboxylic acid IUPAC Name: 6-butyl-4-(4-nonylphenoxy)quinoline-2-carboxylic acid Traditional Name: 6-butyl-4-(4-nonylphenoxy)quinaldic acid Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC2=CC(=NC3=C2C=C(C=C3)CCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC2=CC(=NC3=C2C=C(C=C3)CCCC)C(=O)O

InChI

InChI=1S/C29H37NO3/c1-3-5-7-8-9-10-11-13-22-14-17-24(18-15-22)33-28-21-27(29(31)32)30-26-19-16-23(12-6-4-2)20-25(26)28/h14-21H,3-13H2,1-2H3,(H,31,32)