(1-methyl-4-phenyl-azepan-4-yl)methyl ethanoate

Systemtic Name: (1-methyl-4-phenyl-azepan-4-yl)methyl ethanoate Openeye Name: (1-methyl-4-phenyl-azepan-4-yl)methyl acetate CAS Name: acetic acid (1-methyl-4-phenyl-4-azepanyl)methyl ester IUPAC Name: (1-methyl-4-phenylazepan-4-yl)methyl acetate Traditional Name: acetic acid (1-methyl-4-phenyl-azepan-4-yl)methyl ester Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCCN(CC1)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC1(CCCN(CC1)C)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-14(18)19-13-16(15-7-4-3-5-8-15)9-6-11-17(2)12-10-16/h3-5,7-8H,6,9-13H2,1-2H3