1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(3-ethanoylphenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(3-ethanoylphenoxy)ethanone Openeye Name: 2-(3-acetylphenoxy)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(3-acetylphenoxy)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(3-acetylphenoxy)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(3-acetylphenoxy)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]ethanone Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H25NO5/c1-16(25)17-5-2-6-19(13-17)29-15-23(26)24-10-3-7-20(24)18-8-9-21-22(14-18)28-12-4-11-27-21/h2,5-6,8-9,13-14,20H,3-4,7,10-12,15H2,1H3/t20-/m0/s1