2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-phenyl-ethanol

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-phenyl-ethanol Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-phenyl-ethanol CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-1-phenylethanol IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-phenylethanol Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-1-phenyl-ethanol Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(C2=CC=CC=C2)O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)CC(C2=CC=CC=C2)O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25NO3/c23-19(16-6-2-1-3-7-16)15-22-11-4-8-18(22)17-9-10-20-21(14-17)25-13-5-12-24-20/h1-3,6-7,9-10,14,18-19,23H,4-5,8,11-13,15H2