[4-[2-[5-oxidanylidene-5-(2-piperazin-1-ylethylamino)pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-[5-oxidanylidene-5-(2-piperazin-1-ylethylamino)pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[5-oxo-5-(2-piperazin-1-ylethylamino)pentanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[1,5-dioxo-5-[2-(1-piperazinyl)ethylamino]pentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-oxo-5-(2-piperazin-1-ylethylamino)pentanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[5-keto-5-(2-piperazinoethylamino)pentanoyl]oxyacetyl]phenyl] ester Formula: C26H30BrN3O6 MolecularWeight: 560.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1)CCNC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H30BrN3O6/c27-21-8-4-20(5-9-21)26(34)36-22-10-6-19(7-11-22)23(31)18-35-25(33)3-1-2-24(32)29-14-17-30-15-12-28-13-16-30/h4-11,28H,1-3,12-18H2,(H,29,32)