[4-[2-[5-oxidanylidene-5-[(phenylmethyl)amino]pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-[5-oxidanylidene-5-[(phenylmethyl)amino]pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[5-(benzylamino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[1,5-dioxo-5-[(phenylmethyl)amino]pentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(benzylamino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[5-(benzylamino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C27H24BrNO6 MolecularWeight: 538.38656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C27H24BrNO6/c28-22-13-9-21(10-14-22)27(33)35-23-15-11-20(12-16-23)24(30)18-34-26(32)8-4-7-25(31)29-17-19-5-2-1-3-6-19/h1-3,5-6,9-16H,4,7-8,17-18H2,(H,29,31)