2-(5-heptylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: 2-(5-heptylfuran-2-yl)quinoline-4-carboxylate Openeye Name: 2-(5-heptyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-heptyl-2-furanyl)-4-quinolinecarboxylate IUPAC Name: 2-(5-heptylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-heptyl-2-furyl)cinchoninate Formula: C21H22NO3- MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C21H23NO3/c1-2-3-4-5-6-9-15-12-13-20(25-15)19-14-17(21(23)24)16-10-7-8-11-18(16)22-19/h7-8,10-14H,2-6,9H2,1H3,(H,23,24)/p-1