[cyano-(3-cyclobutyloxetan-3-yl)methyl] 4-iodanylbenzoate

Systemtic Name: [cyano-(3-cyclobutyloxetan-3-yl)methyl] 4-iodanylbenzoate Openeye Name: [cyano-(3-cyclobutyloxetan-3-yl)methyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [cyano-(3-cyclobutyl-3-oxetanyl)methyl] ester IUPAC Name: [cyano-(3-cyclobutyloxetan-3-yl)methyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [cyano-(3-cyclobutyloxetan-3-yl)methyl] ester Formula: C16H16INO3 MolecularWeight: 397.20761

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2(COC2)C(C#N)OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CC(C1)C2(COC2)C(C#N)OC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H16INO3/c17-13-6-4-11(5-7-13)15(19)21-14(8-18)16(9-20-10-16)12-2-1-3-12/h4-7,12,14H,1-3,9-10H2