3-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]propanoate

Systemtic Name: 3-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]propanoate Openeye Name: 3-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]propanoate IUPAC Name: 3-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]propionate Formula: C18H20NO4- MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c20-16(21)9-13-19-17(22)15-6-4-14(5-7-15)8-12-18(23)10-2-1-3-11-18/h4-7,23H,1-3,9-11,13H2,(H,19,22)(H,20,21)/p-1