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

Systemtic Name: ethyl (2R,3S)-3-butyl-4-oxidanylidene-2-phenyl-2,3-dihydroquinoline-1-carboxylate Openeye Name: ethyl (2R,3S)-3-butyl-4-oxo-2-phenyl-2,3-dihydroquinoline-1-carboxylate CAS Name: (2R,3S)-3-butyl-4-oxo-2-phenyl-2,3-dihydroquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-butyl-4-oxo-2-phenyl-2,3-dihydroquinoline-1-carboxylate Traditional Name: (2R,3S)-3-butyl-4-keto-2-phenyl-2,3-dihydroquinoline-1-carboxylic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C2=CC=CC=C2C1=O)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@H]1[C@@H](N(C2=CC=CC=C2C1=O)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/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/h6-12,14-15,18,20H,3-5,13H2,1-2H3/t18-,20-/m0/s1