[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c1-22(2,3)17-11-8-16(9-12-17)20(24)14-26-21(25)19-13-10-15-6-4-5-7-18(15)23-19/h4-13H,14H2,1-3H3