5-bromanyl-2-(3-cyclohexylpropanoylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(3-cyclohexylpropanoylamino)benzoic acid Openeye Name: 5-bromo-2-(3-cyclohexylpropanoylamino)benzoic acid CAS Name: 5-bromo-2-[(3-cyclohexyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-bromo-2-(3-cyclohexylpropanoylamino)benzoic acid Traditional Name: 5-bromo-2-(3-cyclohexylpropanoylamino)benzoic acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H20BrNO3/c17-12-7-8-14(13(10-12)16(20)21)18-15(19)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,18,19)(H,20,21)