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

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

Isomeric SMILES

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

InChI

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