hexyl 2-hexoxyquinoline-4-carboxylate

Systemtic Name: hexyl 2-hexoxyquinoline-4-carboxylate Openeye Name: hexyl 2-hexoxyquinoline-4-carboxylate CAS Name: 2-hexoxy-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-hexoxyquinoline-4-carboxylate Traditional Name: 2-hexoxycinchoninic acid hexyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCCCC

InChI

InChI=1S/C22H31NO3/c1-3-5-7-11-15-25-21-17-19(18-13-9-10-14-20(18)23-21)22(24)26-16-12-8-6-4-2/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3