1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-isopropyl-5-methyl-phenoxy)ethanone CAS Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(2-isopropyl-5-methyl-phenoxy)ethanone Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H31NO4/c1-17(2)20-9-7-18(3)14-23(20)30-16-25(27)26-11-4-6-21(26)19-8-10-22-24(15-19)29-13-5-12-28-22/h7-10,14-15,17,21H,4-6,11-13,16H2,1-3H3/t21-/m1/s1