1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-3-(5-phenylpentyl)urea

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]-3-(5-phenylpentyl)urea Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]-3-(5-phenylpentyl)urea CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]-3-(5-phenylpentyl)urea IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-3-(5-phenylpentyl)urea Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]-3-(5-phenylpentyl)urea Formula: C27H37N3O4 MolecularWeight: 467.60038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C(C2=CC3=C(C=C2)OCCO3)O)NC(=O)NCCCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC(C(C2=CC3=C(C=C2)OCCO3)O)NC(=O)NCCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O4/c31-26(22-12-13-24-25(19-22)34-18-17-33-24)23(20-30-15-7-8-16-30)29-27(32)28-14-6-2-5-11-21-9-3-1-4-10-21/h1,3-4,9-10,12-13,19,23,26,31H,2,5-8,11,14-18,20H2,(H2,28,29,32)