6-butyl-4-(8-methylnonoxy)-3-propyl-quinoline-2-carboxylic acid

Systemtic Name: 6-butyl-4-(8-methylnonoxy)-3-propyl-quinoline-2-carboxylic acid Openeye Name: 6-butyl-4-(8-methylnonoxy)-3-propyl-quinoline-2-carboxylic acid CAS Name: 6-butyl-4-(8-methylnonoxy)-3-propyl-2-quinolinecarboxylic acid IUPAC Name: 6-butyl-4-(8-methylnonoxy)-3-propylquinoline-2-carboxylic acid Traditional Name: 6-butyl-4-(8-methylnonoxy)-3-propyl-quinaldic acid Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C(=C2OCCCCCCCC(C)C)CCC)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C(=C2OCCCCCCCC(C)C)CCC)C(=O)O

InChI

InChI=1S/C27H41NO3/c1-5-7-15-21-16-17-24-23(19-21)26(22(13-6-2)25(28-24)27(29)30)31-18-12-10-8-9-11-14-20(3)4/h16-17,19-20H,5-15,18H2,1-4H3,(H,29,30)