[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21NO3/c1-3-15-9-10-16(4-2)18(13-15)21(24)14-26-22(25)20-12-11-17-7-5-6-8-19(17)23-20/h5-13H,3-4,14H2,1-2H3