methyl (2S)-2-[(2R)-azepan-2-yl]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[(2R)-azepan-2-yl]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[(2R)-azepan-2-yl]-2-phenyl-acetate CAS Name: (2S)-2-[(2R)-2-azepanyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[(2R)-azepan-2-yl]-2-phenylacetate Traditional Name: (2S)-2-[(2R)-azepan-2-yl]-2-phenyl-acetic acid methyl ester Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCCN1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]([C@H]1CCCCCN1)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c1-18-15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-16-13/h2,4-5,8-9,13-14,16H,3,6-7,10-11H2,1H3/t13-,14+/m1/s1