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

Systemtic Name: ethyl (2S,3S)-3-butyl-2-cyclohexyl-4-oxidanylidene-2,3-dihydroquinoline-1-carboxylate Openeye Name: ethyl (2S,3S)-3-butyl-2-cyclohexyl-4-oxo-2,3-dihydroquinoline-1-carboxylate CAS Name: (2S,3S)-3-butyl-2-cyclohexyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-butyl-2-cyclohexyl-4-oxo-2,3-dihydroquinoline-1-carboxylate Traditional Name: (2S,3S)-3-butyl-2-cyclohexyl-4-keto-2,3-dihydroquinoline-1-carboxylic acid ethyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C2=CC=CC=C2C1=O)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CCCC[C@H]1[C@@H](N(C2=CC=CC=C2C1=O)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C22H31NO3/c1-3-5-13-18-20(16-11-7-6-8-12-16)23(22(25)26-4-2)19-15-10-9-14-17(19)21(18)24/h9-10,14-16,18,20H,3-8,11-13H2,1-2H3/t18-,20-/m0/s1