[2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-[[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-[[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-keto-2-[[2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]ethyl] ester Formula: C23H26BrFN2O4 MolecularWeight: 493.365943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=C(C=C(C=C2)F)Br)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=C(C=C(C=C2)F)Br)N3CCCCC3

InChI

InChI=1S/C23H26BrFN2O4/c1-30-18-8-5-16(6-9-18)21(27-11-3-2-4-12-27)14-26-22(28)15-31-23(29)19-10-7-17(25)13-20(19)24/h5-10,13,21H,2-4,11-12,14-15H2,1H3,(H,26,28)