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

Systemtic Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(4-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(4-carbethoxypiperidino)-2-keto-ethyl] ester Formula: C26H25BrN2O5 MolecularWeight: 525.3911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O5/c1-2-33-25(31)18-11-13-29(14-12-18)24(30)16-34-26(32)21-15-23(17-7-9-19(27)10-8-17)28-22-6-4-3-5-20(21)22/h3-10,15,18H,2,11-14,16H2,1H3