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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

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