(6-methyl-5-phenyl-azepan-4-yl) propanoate

Systemtic Name: (6-methyl-5-phenyl-azepan-4-yl) propanoate Openeye Name: (6-methyl-5-phenyl-azepan-4-yl) propanoate CAS Name: propanoic acid (6-methyl-5-phenyl-4-azepanyl) ester IUPAC Name: (6-methyl-5-phenylazepan-4-yl) propanoate Traditional Name: propionic acid (6-methyl-5-phenyl-azepan-4-yl) ester Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCNCC(C1C2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)OC1CCNCC(C1C2=CC=CC=C2)C

InChI

InChI=1S/C16H23NO2/c1-3-15(18)19-14-9-10-17-11-12(2)16(14)13-7-5-4-6-8-13/h4-8,12,14,16-17H,3,9-11H2,1-2H3