[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3/c1-3-14-8-7-9-15(4-2)21(14)25-20(26)13-28-22(27)17-12-19(23)24-18-11-6-5-10-16(17)18/h5-12H,3-4,13H2,1-2H3,(H,25,26)