[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H25ClN2O3/c1-4-9-20-18(5-2)22(19-12-6-7-13-21(19)27-20)24(29)30-15(3)23(28)26-17-11-8-10-16(25)14-17/h6-8,10-15H,4-5,9H2,1-3H3,(H,26,28)