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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#CC2(CCCCC2)O

Isomeric SMILES

C[C@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#CC2(CCCCC2)O

InChI

InChI=1S/C18H21NO4/c1-13(17(21)22)19-16(20)15-7-5-14(6-8-15)9-12-18(23)10-3-2-4-11-18/h5-8,13,23H,2-4,10-11H2,1H3,(H,19,20)(H,21,22)/p-1/t13-/m1/s1