5-bromanyl-2-[2-(4-cyclohexylphenoxy)ethanoylamino]benzoate

Systemtic Name: 5-bromanyl-2-[2-(4-cyclohexylphenoxy)ethanoylamino]benzoate Openeye Name: 5-bromo-2-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoate CAS Name: 5-bromo-2-[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]benzoate IUPAC Name: 5-bromo-2-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoate Traditional Name: 5-bromo-2-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoate Formula: C21H21BrNO4- MolecularWeight: 431.29974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C21H22BrNO4/c22-16-8-11-19(18(12-16)21(25)26)23-20(24)13-27-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,23,24)(H,25,26)/p-1