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

Systemtic Name: ethyl 6-chloranyl-4-[[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 4-[[2-[benzyl(methyl)amino]-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylate CAS Name: 6-chloro-4-[[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-6-chloroquinoline-3-carboxylate Traditional Name: 4-[[2-[benzyl(methyl)amino]-2-keto-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid ethyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N(C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N(C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-3-29-22(28)18-12-24-19-10-9-16(23)11-17(19)21(18)25-13-20(27)26(2)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,24,25)