6-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]hexanoate

Systemtic Name: 6-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]hexanoate Openeye Name: 6-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]hexanoate CAS Name: 6-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]hexanoate IUPAC Name: 6-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]hexanoate Traditional Name: 6-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]hexanoate Formula: C21H26NO4- MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NCCCCCC(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NCCCCCC(=O)[O-])O

InChI

InChI=1S/C21H27NO4/c23-19(24)7-3-1-6-16-22-20(25)18-10-8-17(9-11-18)12-15-21(26)13-4-2-5-14-21/h8-11,26H,1-7,13-14,16H2,(H,22,25)(H,23,24)/p-1