methyl (3R)-3-[(3S)-2-oxidanylideneoxepan-3-yl]-3-phenyl-propanoate

Systemtic Name: methyl (3R)-3-[(3S)-2-oxidanylideneoxepan-3-yl]-3-phenyl-propanoate Openeye Name: methyl (3R)-3-[(3S)-2-oxooxepan-3-yl]-3-phenyl-propanoate CAS Name: (3R)-3-[(3S)-2-oxo-3-oxepanyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3R)-3-[(3S)-2-oxooxepan-3-yl]-3-phenylpropanoate Traditional Name: (3R)-3-[(3S)-2-ketooxepan-3-yl]-3-phenyl-propionic acid methyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1CCCCOC1=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H]([C@@H]1CCCCOC1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20O4/c1-19-15(17)11-14(12-7-3-2-4-8-12)13-9-5-6-10-20-16(13)18/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-,14-/m0/s1