2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-1-(2,3-dihydrobenzofuran-5-yl)ethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-4-imidazolyl)methyl]-1-(2,3-dihydrobenzofuran-5-yl)ethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine Traditional Name: [2-(1,3-benzodioxol-5-yl)-1-coumaran-5-yl-ethyl]-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]amine Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CNC(CC3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5)OCC6

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CNC(CC3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5)OCC6

InChI

InChI=1S/C31H33N3O3/c1-2-3-14-34-26(20-33-31(34)23-7-5-4-6-8-23)19-32-27(24-10-12-28-25(18-24)13-15-35-28)16-22-9-11-29-30(17-22)37-21-36-29/h4-12,17-18,20,27,32H,2-3,13-16,19,21H2,1H3