1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-3-(6-phenylhexyl)urea

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-3-(6-phenylhexyl)urea Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]-3-(6-phenylhexyl)urea CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]-3-(6-phenylhexyl)urea IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-3-(6-phenylhexyl)urea Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]-3-(6-phenylhexyl)urea Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C(C2=CC3=C(C=C2)OCCO3)O)NC(=O)NCCCCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC(C(C2=CC3=C(C=C2)OCCO3)O)NC(=O)NCCCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O4/c32-27(23-13-14-25-26(20-23)35-19-18-34-25)24(21-31-16-8-9-17-31)30-28(33)29-15-7-2-1-4-10-22-11-5-3-6-12-22/h3,5-6,11-14,20,24,27,32H,1-2,4,7-10,15-19,21H2,(H2,29,30,33)