6-butyl-4-(2-tert-butyl-4-methyl-phenoxy)quinoline-2-carboxylic acid

Systemtic Name: 6-butyl-4-(2-tert-butyl-4-methyl-phenoxy)quinoline-2-carboxylic acid Openeye Name: 6-butyl-4-(2-tert-butyl-4-methyl-phenoxy)quinoline-2-carboxylic acid CAS Name: 6-butyl-4-(2-tert-butyl-4-methylphenoxy)-2-quinolinecarboxylic acid IUPAC Name: 6-butyl-4-(2-tert-butyl-4-methylphenoxy)quinoline-2-carboxylic acid Traditional Name: 6-butyl-4-(2-tert-butyl-4-methyl-phenoxy)quinaldic acid Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2OC3=C(C=C(C=C3)C)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2OC3=C(C=C(C=C3)C)C(C)(C)C)C(=O)O

InChI

InChI=1S/C25H29NO3/c1-6-7-8-17-10-11-20-18(14-17)23(15-21(26-20)24(27)28)29-22-12-9-16(2)13-19(22)25(3,4)5/h9-15H,6-8H2,1-5H3,(H,27,28)