ethyl (2S,3S)-3-butyl-2-hexyl-4-oxidanylidene-2,3-dihydroquinoline-1-carboxylate

Systemtic Name: ethyl (2S,3S)-3-butyl-2-hexyl-4-oxidanylidene-2,3-dihydroquinoline-1-carboxylate Openeye Name: ethyl (2S,3S)-3-butyl-2-hexyl-4-oxo-2,3-dihydroquinoline-1-carboxylate CAS Name: (2S,3S)-3-butyl-2-hexyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-butyl-2-hexyl-4-oxo-2,3-dihydroquinoline-1-carboxylate Traditional Name: (2S,3S)-3-butyl-2-hexyl-4-keto-2,3-dihydroquinoline-1-carboxylic acid ethyl ester Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(=O)C2=CC=CC=C2N1C(=O)OCC)CCCC

Isomeric SMILES

CCCCCC[C@H]1[C@@H](C(=O)C2=CC=CC=C2N1C(=O)OCC)CCCC

InChI

InChI=1S/C22H33NO3/c1-4-7-9-10-15-19-17(13-8-5-2)21(24)18-14-11-12-16-20(18)23(19)22(25)26-6-3/h11-12,14,16-17,19H,4-10,13,15H2,1-3H3/t17-,19-/m0/s1