[4-[3-(tert-butylamino)propoxy]phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone

Systemtic Name: [4-[3-(tert-butylamino)propoxy]phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Openeye Name: [4-[3-(tert-butylamino)propoxy]phenyl]-(2-butyl-5-nitro-benzofuran-3-yl)methanone CAS Name: [4-[3-(tert-butylamino)propoxy]phenyl]-(2-butyl-5-nitro-3-benzofuranyl)methanone IUPAC Name: [4-[3-(tert-butylamino)propoxy]phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone Traditional Name: [4-[3-(tert-butylamino)propoxy]phenyl]-(2-butyl-5-nitro-benzofuran-3-yl)methanone Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCCCNC(C)(C)C

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OCCCNC(C)(C)C

InChI

InChI=1S/C26H32N2O5/c1-5-6-8-23-24(21-17-19(28(30)31)11-14-22(21)33-23)25(29)18-9-12-20(13-10-18)32-16-7-15-27-26(2,3)4/h9-14,17,27H,5-8,15-16H2,1-4H3