(4-tert-butyl-2-methyl-phenyl) (4S)-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) (4S)-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) (4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate CAS Name: (4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) (4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate Traditional Name: (4S)-2-keto-3,4-dihydro-1H-quinoline-4-carboxylic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CC(=O)NC3=CC=CC=C23

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)[C@H]2CC(=O)NC3=CC=CC=C23

InChI

InChI=1S/C21H23NO3/c1-13-11-14(21(2,3)4)9-10-18(13)25-20(24)16-12-19(23)22-17-8-6-5-7-15(16)17/h5-11,16H,12H2,1-4H3,(H,22,23)/t16-/m0/s1