[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H18INO3 MolecularWeight: 387.21279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C15H18INO3/c16-13-7-5-12(6-8-13)15(19)20-11-14(18)17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2