2-methyl-4-oxidanylidene-2-phenyl-4-(prop-2-ynylamino)butanoic acid

Systemtic Name: 2-methyl-4-oxidanylidene-2-phenyl-4-(prop-2-ynylamino)butanoic acid Openeye Name: 2-methyl-4-oxo-2-phenyl-4-(prop-2-ynylamino)butanoic acid CAS Name: 2-methyl-4-oxo-2-phenyl-4-(prop-2-ynylamino)butanoic acid IUPAC Name: 2-methyl-4-oxo-2-phenyl-4-(prop-2-ynylamino)butanoic acid Traditional Name: 4-keto-2-methyl-2-phenyl-4-(propargylamino)butyric acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC#C)(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CC(=O)NCC#C)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H15NO3/c1-3-9-15-12(16)10-14(2,13(17)18)11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3,(H,15,16)(H,17,18)