[7-oxidanylidene-4-(phenylmethyl)hept-1-yn-3-yl] benzoate

Systemtic Name: [7-oxidanylidene-4-(phenylmethyl)hept-1-yn-3-yl] benzoate Openeye Name: (2-benzyl-1-ethynyl-5-oxo-pentyl) benzoate CAS Name: benzoic acid [7-oxo-4-(phenylmethyl)hept-1-yn-3-yl] ester IUPAC Name: (4-benzyl-7-oxohept-1-yn-3-yl) benzoate Traditional Name: benzoic acid 1-(1-benzyl-4-keto-butyl)prop-2-ynyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C(CCC=O)CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C#CC(C(CCC=O)CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H20O3/c1-2-20(24-21(23)18-12-7-4-8-13-18)19(14-9-15-22)16-17-10-5-3-6-11-17/h1,3-8,10-13,15,19-20H,9,14,16H2