3-[[3-methyl-2-[(3-methyl-2-nitro-phenoxy)methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine

Systemtic Name: 3-[[3-methyl-2-[(3-methyl-2-nitro-phenoxy)methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Openeye Name: 3-[3-methyl-2-[(3-methyl-2-nitro-phenoxy)methyl]benzofuran-4-yl]oxy-N-(3-pyridylmethyl)propan-1-amine CAS Name: 3-[[3-methyl-2-[(3-methyl-2-nitrophenoxy)methyl]-4-benzofuranyl]oxy]-N-(3-pyridinylmethyl)-1-propanamine IUPAC Name: 3-[[3-methyl-2-[(3-methyl-2-nitrophenoxy)methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Traditional Name: 3-[3-methyl-2-[(3-methyl-2-nitro-phenoxy)methyl]benzofuran-4-yl]oxypropyl-(3-pyridylmethyl)amine Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=C(C3=C(O2)C=CC=C3OCCCNCC4=CN=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=C(C3=C(O2)C=CC=C3OCCCNCC4=CN=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O5/c1-18-7-3-11-23(26(18)29(30)31)33-17-24-19(2)25-21(9-4-10-22(25)34-24)32-14-6-13-28-16-20-8-5-12-27-15-20/h3-5,7-12,15,28H,6,13-14,16-17H2,1-2H3