[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-benzamidohexanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-benzamidohexanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrNO4/c22-18-12-10-16(11-13-18)19(24)15-27-20(25)9-5-2-6-14-23-21(26)17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,23,26)