[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(hexanoylamino)benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(hexanoylamino)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(hexanoylamino)benzoate CAS Name: 4-(1-oxohexylamino)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(hexanoylamino)benzoate Traditional Name: 4-(caproylamino)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrNO4/c1-2-3-4-5-20(25)23-18-12-8-16(9-13-18)21(26)27-14-19(24)15-6-10-17(22)11-7-15/h6-13H,2-5,14H2,1H3,(H,23,25)