octan-3-yl 2-oxidanylidene-1-pentyl-quinoline-4-carboxylate

Systemtic Name: octan-3-yl 2-oxidanylidene-1-pentyl-quinoline-4-carboxylate Openeye Name: 1-ethylhexyl 2-oxo-1-pentyl-quinoline-4-carboxylate CAS Name: 2-oxo-1-pentyl-4-quinolinecarboxylic acid octan-3-yl ester IUPAC Name: octan-3-yl 2-oxo-1-pentylquinoline-4-carboxylate Traditional Name: 1-amyl-2-keto-cinchoninic acid 1-ethylhexyl ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC(=O)N(C2=CC=CC=C21)CCCCC

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC(=O)N(C2=CC=CC=C21)CCCCC

InChI

InChI=1S/C23H33NO3/c1-4-7-9-13-18(6-3)27-23(26)20-17-22(25)24(16-12-8-5-2)21-15-11-10-14-19(20)21/h10-11,14-15,17-18H,4-9,12-13,16H2,1-3H3