N'-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide

Systemtic Name: N'-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide Openeye Name: N'-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyleneamino]-N-(4-fluorophenyl)butanediamide CAS Name: N'-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide IUPAC Name: N'-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide Traditional Name: N'-[(4-benzoxy-3-bromo-5-ethoxy-benzylidene)amino]-N-(4-fluorophenyl)succinamide Formula: C26H25BrFN3O4 MolecularWeight: 542.396803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)CCC(=O)NC2=CC=C(C=C2)F)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrFN3O4/c1-2-34-23-15-19(14-22(27)26(23)35-17-18-6-4-3-5-7-18)16-29-31-25(33)13-12-24(32)30-21-10-8-20(28)9-11-21/h3-11,14-16H,2,12-13,17H2,1H3,(H,30,32)(H,31,33)