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

Systemtic Name: [7-oxidanylidene-4-(phenylmethyl)oct-1-yn-3-yl] benzoate Openeye Name: (2-benzyl-1-ethynyl-5-oxo-hexyl) benzoate CAS Name: benzoic acid [7-oxo-4-(phenylmethyl)oct-1-yn-3-yl] ester IUPAC Name: (4-benzyl-7-oxooct-1-yn-3-yl) benzoate Traditional Name: benzoic acid 1-(1-benzyl-4-keto-pentyl)prop-2-ynyl ester Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O3/c1-3-21(25-22(24)19-12-8-5-9-13-19)20(15-14-17(2)23)16-18-10-6-4-7-11-18/h1,4-13,20-21H,14-16H2,2H3