(phenylmethyl) 4-acetamido-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate

Systemtic Name: (phenylmethyl) 4-acetamido-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate Openeye Name: benzyl 4-acetamido-3-(3-hydroxy-3-methyl-but-1-ynyl)benzoate CAS Name: 4-acetamido-3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetamido-3-(3-hydroxy-3-methylbut-1-ynyl)benzoate Traditional Name: 4-acetamido-3-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid benzyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)C#CC(C)(C)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)C#CC(C)(C)O

InChI

InChI=1S/C21H21NO4/c1-15(23)22-19-10-9-18(13-17(19)11-12-21(2,3)25)20(24)26-14-16-7-5-4-6-8-16/h4-10,13,25H,14H2,1-3H3,(H,22,23)