2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]propionic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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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

CC(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)