[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN2O3/c26-18-9-7-8-17(14-18)23-15-21(20-12-5-6-13-22(20)28-23)25(30)31-16-24(29)27-19-10-3-1-2-4-11-19/h5-9,12-15,19H,1-4,10-11,16H2,(H,27,29)