[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H19NO3/c1-3-15-8-10-16(11-9-15)20(23)13-25-21(24)18-12-14(2)22-19-7-5-4-6-17(18)19/h4-12H,3,13H2,1-2H3