[1-(azepan-1-yl)-3-phenoxy-propan-2-yl] ethanoate

Systemtic Name: [1-(azepan-1-yl)-3-phenoxy-propan-2-yl] ethanoate Openeye Name: [1-(azepan-1-ylmethyl)-2-phenoxy-ethyl] acetate CAS Name: acetic acid [1-(1-azepanyl)-3-phenoxypropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-3-phenoxypropan-2-yl] acetate Traditional Name: acetic acid [1-(azepan-1-ylmethyl)-2-phenoxy-ethyl] ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1CCCCCC1)COC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CN1CCCCCC1)COC2=CC=CC=C2

InChI

InChI=1S/C17H25NO3/c1-15(19)21-17(13-18-11-7-2-3-8-12-18)14-20-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3