[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C20H20BrClN2O3 MolecularWeight: 451.7414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C20H20BrClN2O3/c21-16-6-7-18(22)17(12-16)20(26)27-14-19(25)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2