[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H23NO3/c1-15(21(25)17-9-12-18(13-10-17)23(2,3)4)27-22(26)20-14-11-16-7-5-6-8-19(16)24-20/h5-15H,1-4H3/t15-/m1/s1