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

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methoxy-4-methyl-phenyl)methanone Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methoxy-4-methyl-phenyl)methanone CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(3-methoxy-4-methylphenyl)methanone IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(3-methoxy-4-methyl-phenyl)methanone Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-15-6-7-17(14-20(15)25-2)22(24)23-10-3-5-18(23)16-8-9-19-21(13-16)27-12-4-11-26-19/h6-9,13-14,18H,3-5,10-12H2,1-2H3/t18-/m0/s1