(4-tert-butylphenyl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid (4-tert-butylbenzyl) ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H21NO3/c1-21(2,3)15-10-8-14(9-11-15)13-25-20(24)17-12-19(23)22-18-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,22,23)