2-(5-heptylfuran-2-yl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-heptylfuran-2-yl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-heptyl-2-furyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(5-heptyl-2-furanyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-heptylfuran-2-yl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(5-heptyl-2-furyl)-8-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=CC=C3C)C(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(O1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O

InChI

InChI=1S/C22H25NO3/c1-3-4-5-6-7-10-16-12-13-20(26-16)19-14-18(22(24)25)17-11-8-9-15(2)21(17)23-19/h8-9,11-14H,3-7,10H2,1-2H3,(H,24,25)