3-[3-[[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]amino]-3-methyl-butyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]amino]-3-methyl-butyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]amino]-3-methyl-butyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-3-methylbutyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-3-methylbutyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]amino]-3-methyl-butyl]-1H-benzimidazol-2-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C2=CC=CC=C2NC1=O)NCC(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(CCN1C2=CC=CC=C2NC1=O)NCC(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H25N3O4/c1-21(2,9-10-24-16-6-4-3-5-15(16)23-20(24)26)22-12-17(25)14-7-8-18-19(11-14)28-13-27-18/h3-8,11,17,22,25H,9-10,12-13H2,1-2H3,(H,23,26)