[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoate CAS Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoate Traditional Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C23H21BrO4 MolecularWeight: 441.31444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C23H21BrO4/c24-20-10-8-18(9-11-20)21(25)16-28-22(26)19-6-4-17(5-7-19)12-15-23(27)13-2-1-3-14-23/h4-11,27H,1-3,13-14,16H2