[(4R,6S)-7-oxidanylidene-6-[(2R)-1-(phenylmethyl)piperidin-2-yl]oxepan-4-yl] ethanoate

Systemtic Name: [(4R,6S)-7-oxidanylidene-6-[(2R)-1-(phenylmethyl)piperidin-2-yl]oxepan-4-yl] ethanoate Openeye Name: [(4R,6S)-6-[(2R)-1-benzyl-2-piperidyl]-7-oxo-oxepan-4-yl] acetate CAS Name: acetic acid [(4R,6S)-7-oxo-6-[(2R)-1-(phenylmethyl)-2-piperidinyl]-4-oxepanyl] ester IUPAC Name: [(4R,6S)-6-[(2R)-1-benzylpiperidin-2-yl]-7-oxooxepan-4-yl] acetate Traditional Name: acetic acid [(4R,6S)-6-[(2R)-1-benzyl-2-piperidyl]-7-keto-oxepan-4-yl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCOC(=O)C(C1)C2CCCCN2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1CCOC(=O)[C@@H](C1)[C@H]2CCCCN2CC3=CC=CC=C3

InChI

InChI=1S/C20H27NO4/c1-15(22)25-17-10-12-24-20(23)18(13-17)19-9-5-6-11-21(19)14-16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3/t17-,18-,19+/m0/s1