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

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methanone IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Traditional Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methanone Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C23H26ClNO5/c1-3-28-22-17(24)12-16(14-21(22)27-2)23(26)25-9-4-6-18(25)15-7-8-19-20(13-15)30-11-5-10-29-19/h7-8,12-14,18H,3-6,9-11H2,1-2H3/t18-/m0/s1