(3-bromanyl-4-methoxy-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methanone Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-25-18-7-6-15(12-16(18)22)21(24)23-9-2-4-17(23)14-5-8-19-20(13-14)27-11-3-10-26-19/h5-8,12-13,17H,2-4,9-11H2,1H3/t17-/m0/s1