[1-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylmethyl)dec-5-yn-4-yl] benzoate

Systemtic Name: [1-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylmethyl)dec-5-yn-4-yl] benzoate Openeye Name: 1-[1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]hept-2-ynyl benzoate CAS Name: benzoic acid [1-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylmethyl)dec-5-yn-4-yl] ester IUPAC Name: [3-benzyl-1-(2-methyl-1,3-dioxolan-2-yl)dec-5-yn-4-yl] benzoate Traditional Name: benzoic acid 1-[1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]hept-2-ynyl ester Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(CCC1(OCCO1)C)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC#CC(C(CCC1(OCCO1)C)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H34O4/c1-3-4-5-12-17-26(32-27(29)24-15-10-7-11-16-24)25(22-23-13-8-6-9-14-23)18-19-28(2)30-20-21-31-28/h6-11,13-16,25-26H,3-5,18-22H2,1-2H3