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

Systemtic Name: 3-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO4/c26-22(27)17-21(19-7-3-1-4-8-19)25-23(28)20-11-9-18(10-12-20)13-16-24(29)14-5-2-6-15-24/h1,3-4,7-12,21,29H,2,5-6,14-15,17H2,(H,25,28)(H,26,27)