[3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxy-hex-4-yn-3-yl] benzoate

Systemtic Name: [3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxy-hex-4-yn-3-yl] benzoate Openeye Name: [4-benzyloxy-1-methyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-2-ynyl] benzoate CAS Name: benzoic acid [3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyhex-4-yn-3-yl] ester IUPAC Name: [3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyhex-4-yn-3-yl] benzoate Traditional Name: benzoic acid [4-benzoxy-1-methyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-2-ynyl] ester Formula: C25H28O5 MolecularWeight: 408.48682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)CCC(C)(C#CCOCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1(OCCO1)CCC(C)(C#CCOCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28O5/c1-24(15-16-25(2)28-18-19-29-25,30-23(26)22-12-7-4-8-13-22)14-9-17-27-20-21-10-5-3-6-11-21/h3-8,10-13H,15-20H2,1-2H3