[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C23H23ClN2O3/c1-14-20(22(28)29-13-19(27)26-23(2,3)4)17-10-5-6-11-18(17)25-21(14)15-8-7-9-16(24)12-15/h5-12H,13H2,1-4H3,(H,26,27)