ethyl 6-chloranyl-4-[[2-(dibutylamino)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[[2-(dibutylamino)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-[[2-(dibutylamino)-2-oxo-ethyl]amino]quinoline-3-carboxylate CAS Name: 6-chloro-4-[[2-(dibutylamino)-2-oxoethyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-[[2-(dibutylamino)-2-oxoethyl]amino]quinoline-3-carboxylate Traditional Name: 6-chloro-4-[[2-(dibutylamino)-2-keto-ethyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CNC1=C2C=C(C=CC2=NC=C1C(=O)OCC)Cl

Isomeric SMILES

CCCCN(CCCC)C(=O)CNC1=C2C=C(C=CC2=NC=C1C(=O)OCC)Cl

InChI

InChI=1S/C22H30ClN3O3/c1-4-7-11-26(12-8-5-2)20(27)15-25-21-17-13-16(23)9-10-19(17)24-14-18(21)22(28)29-6-3/h9-10,13-14H,4-8,11-12,15H2,1-3H3,(H,24,25)