ethyl 3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCCC2C3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCCC2C3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C25H31NO6/c1-2-29-25(28)19-6-3-7-21(14-19)32-17-20(27)16-26-11-4-8-22(26)18-9-10-23-24(15-18)31-13-5-12-30-23/h3,6-7,9-10,14-15,20,22,27H,2,4-5,8,11-13,16-17H2,1H3