3-(5-cyano-2-pentoxy-phenyl)-4-pentoxy-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide

Systemtic Name: 3-(5-cyano-2-pentoxy-phenyl)-4-pentoxy-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide Openeye Name: 3-(5-cyano-2-pentoxy-phenyl)-4-pentoxy-N'-[3-(trifluoromethyl)phenyl]benzamidine CAS Name: 3-(5-cyano-2-pentoxyphenyl)-4-pentoxy-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide IUPAC Name: 3-(5-cyano-2-pentoxyphenyl)-4-pentoxy-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide Traditional Name: 4-amoxy-3-(2-amoxy-5-cyano-phenyl)-N'-[3-(trifluoromethyl)phenyl]benzamidine Formula: C31H34F3N3O2 MolecularWeight: 537.61577

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C#N)C2=C(C=CC(=C2)C(=NC3=CC=CC(=C3)C(F)(F)F)N)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C#N)C2=C(C=CC(=C2)C(=NC3=CC=CC(=C3)C(F)(F)F)N)OCCCCC

InChI

InChI=1S/C31H34F3N3O2/c1-3-5-7-16-38-28-14-12-22(21-35)18-26(28)27-19-23(13-15-29(27)39-17-8-6-4-2)30(36)37-25-11-9-10-24(20-25)31(32,33)34/h9-15,18-20H,3-8,16-17H2,1-2H3,(H2,36,37)