(phenylmethyl) 4-acetamido-3-ethynyl-benzoate

Systemtic Name: (phenylmethyl) 4-acetamido-3-ethynyl-benzoate Openeye Name: benzyl 4-acetamido-3-ethynyl-benzoate CAS Name: 4-acetamido-3-ethynylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetamido-3-ethynylbenzoate Traditional Name: 4-acetamido-3-ethynyl-benzoic acid benzyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3/c1-3-15-11-16(9-10-17(15)19-13(2)20)18(21)22-12-14-7-5-4-6-8-14/h1,4-11H,12H2,2H3,(H,19,20)