2-[4-[2-(5-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-2-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(5-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: 2-[4-[2-(5-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-hydroxy-ethyl]piperazin-1-yl]-2-phenyl-acetamide CAS Name: 2-[4-[2-(5-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-hydroxyethyl]-1-piperazinyl]-2-phenylacetamide IUPAC Name: 2-[4-[2-(5-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-phenylacetamide Traditional Name: 2-[4-[2-(5-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-hydroxy-ethyl]piperazino]-2-phenyl-acetamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC=C1)OC(CO2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C(=O)N)O

Isomeric SMILES

CCCCC1=C2C(=CC=C1)OC(CO2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C(=O)N)O

InChI

InChI=1S/C26H35N3O4/c1-2-3-8-20-11-7-12-22-25(20)32-18-23(33-22)21(30)17-28-13-15-29(16-14-28)24(26(27)31)19-9-5-4-6-10-19/h4-7,9-12,21,23-24,30H,2-3,8,13-18H2,1H3,(H2,27,31)