[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-ethylquinoline-4-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-ethylquinoline-4-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 2-ethylquinoline-4-carboxylate CAS Name: 2-ethyl-4-quinolinecarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 2-ethylquinoline-4-carboxylate Traditional Name: 2-ethylcinchoninic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H22N2O3/c1-4-16-12-18(17-7-5-6-8-20(17)23-16)22(26)27-13-21(25)24-19-10-9-14(2)11-15(19)3/h5-12H,4,13H2,1-3H3,(H,24,25)