[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H27BrN2O3 MolecularWeight: 495.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H27BrN2O3/c1-16-7-5-12-22(17(16)2)29-25(30)15-32-26(31)21-14-24(18-8-6-9-19(27)13-18)28-23-11-4-3-10-20(21)23/h3-4,6,8-11,13-14,16-17,22H,5,7,12,15H2,1-2H3,(H,29,30)