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

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(4-methoxyphenoxy)ethanone IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(4-methoxyphenoxy)ethanone Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25NO5/c1-25-17-6-8-18(9-7-17)28-15-22(24)23-11-2-4-19(23)16-5-10-20-21(14-16)27-13-3-12-26-20/h5-10,14,19H,2-4,11-13,15H2,1H3/t19-/m0/s1