3-[[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-3-phenyl-propionic acid Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=CC=C1C(=O)NC(CC(=O)O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C#CC1=CC=CC=C1C(=O)NC(CC(=O)O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H21NO4/c1-21(2,26)13-12-15-8-6-7-11-17(15)20(25)22-18(14-19(23)24)16-9-4-3-5-10-16/h3-11,18,26H,14H2,1-2H3,(H,22,25)(H,23,24)