[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2-ethyl-1-piperidyl)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN2O3/c1-2-19-7-5-6-14-28(19)24(29)16-31-25(30)21-15-23(17-10-12-18(26)13-11-17)27-22-9-4-3-8-20(21)22/h3-4,8-13,15,19H,2,5-7,14,16H2,1H3