(4-methyl-7-oxidanylidene-1-phenylmethoxy-oct-2-yn-4-yl) benzoate

Systemtic Name: (4-methyl-7-oxidanylidene-1-phenylmethoxy-oct-2-yn-4-yl) benzoate Openeye Name: [1-(3-benzyloxyprop-1-ynyl)-1-methyl-4-oxo-pentyl] benzoate CAS Name: benzoic acid (4-methyl-7-oxo-1-phenylmethoxyoct-2-yn-4-yl) ester IUPAC Name: (4-methyl-7-oxo-1-phenylmethoxyoct-2-yn-4-yl) benzoate Traditional Name: benzoic acid [4-benzoxy-1-(3-ketobutyl)-1-methyl-but-2-ynyl] ester Formula: C23H24O4 MolecularWeight: 364.43426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C)(C#CCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCC(C)(C#CCOCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H24O4/c1-19(24)14-16-23(2,27-22(25)21-12-7-4-8-13-21)15-9-17-26-18-20-10-5-3-6-11-20/h3-8,10-13H,14,16-18H2,1-2H3