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

Systemtic Name: 2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-2-phenyl-acetic acid Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C23H23NO4/c25-21(24-20(22(26)27)18-7-3-1-4-8-18)19-11-9-17(10-12-19)13-16-23(28)14-5-2-6-15-23/h1,3-4,7-12,20,28H,2,5-6,14-15H2,(H,24,25)(H,26,27)