[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC=C)C

InChI

InChI=1S/C23H22N2O3/c1-4-11-24-22(26)14-28-23(27)19-13-21(17-10-9-15(2)12-16(17)3)25-20-8-6-5-7-18(19)20/h4-10,12-13H,1,11,14H2,2-3H3,(H,24,26)