hexyl 1-hexyl-2-oxidanylidene-quinoline-4-carboxylate

Systemtic Name: hexyl 1-hexyl-2-oxidanylidene-quinoline-4-carboxylate Openeye Name: hexyl 1-hexyl-2-oxo-quinoline-4-carboxylate CAS Name: 1-hexyl-2-oxo-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 1-hexyl-2-oxoquinoline-4-carboxylate Traditional Name: 1-hexyl-2-keto-cinchoninic acid hexyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=CC1=O)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=CC1=O)C(=O)OCCCCCC

InChI

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