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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO3/c17-14-7-5-13(6-8-14)11-16(20)21-12-15(19)18-9-3-1-2-4-10-18/h5-8H,1-4,9-12H2