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

Systemtic Name: [(4R,6S)-7-oxidanylidene-6-[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]oxepan-4-yl] ethanoate Openeye Name: [(4R,6S)-6-[(2R)-1-benzylpyrrolidin-2-yl]-7-oxo-oxepan-4-yl] acetate CAS Name: acetic acid [(4R,6S)-7-oxo-6-[(2R)-1-(phenylmethyl)-2-pyrrolidinyl]-4-oxepanyl] ester IUPAC Name: [(4R,6S)-6-[(2R)-1-benzylpyrrolidin-2-yl]-7-oxooxepan-4-yl] acetate Traditional Name: acetic acid [(4R,6S)-6-[(2R)-1-benzylpyrrolidin-2-yl]-7-keto-oxepan-4-yl] ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCOC(=O)C(C1)C2CCCN2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1CCOC(=O)[C@@H](C1)[C@H]2CCCN2CC3=CC=CC=C3

InChI

InChI=1S/C19H25NO4/c1-14(21)24-16-9-11-23-19(22)17(12-16)18-8-5-10-20(18)13-15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-13H2,1H3/t16-,17-,18+/m0/s1