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

Systemtic Name: ethyl 4-[[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]amino]-6-chloranyl-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-[[2-(diisobutylamino)-2-oxo-ethyl]amino]quinoline-3-carboxylate CAS Name: 4-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-6-chloro-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-6-chloroquinoline-3-carboxylate Traditional Name: 6-chloro-4-[[2-(diisobutylamino)-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:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N(CC(C)C)CC(C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N(CC(C)C)CC(C)C)Cl

InChI

InChI=1S/C22H30ClN3O3/c1-6-29-22(28)18-10-24-19-8-7-16(23)9-17(19)21(18)25-11-20(27)26(12-14(2)3)13-15(4)5/h7-10,14-15H,6,11-13H2,1-5H3,(H,24,25)