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

Systemtic Name: ethyl (2R,3S)-3-butyl-2-tert-butyl-4-oxidanylidene-2,3-dihydroquinoline-1-carboxylate Openeye Name: ethyl (2R,3S)-3-butyl-2-tert-butyl-4-oxo-2,3-dihydroquinoline-1-carboxylate CAS Name: (2R,3S)-3-butyl-2-tert-butyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-butyl-2-tert-butyl-4-oxo-2,3-dihydroquinoline-1-carboxylate Traditional Name: (2R,3S)-3-butyl-2-tert-butyl-4-keto-2,3-dihydroquinoline-1-carboxylic acid ethyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3/c1-6-8-11-15-17(22)14-12-9-10-13-16(14)21(19(23)24-7-2)18(15)20(3,4)5/h9-10,12-13,15,18H,6-8,11H2,1-5H3/t15-,18-/m1/s1