3-[2-(4-cyclohexylphenoxy)ethanoylamino]benzoate

Systemtic Name: 3-[2-(4-cyclohexylphenoxy)ethanoylamino]benzoate Openeye Name: 3-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoate Formula: C21H22NO4- MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c23-20(22-18-8-4-7-17(13-18)21(24)25)14-26-19-11-9-16(10-12-19)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2,(H,22,23)(H,24,25)/p-1