N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide Openeye Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(4-methoxyphenyl)butanediamide CAS Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide IUPAC Name: N'-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide Traditional Name: N'-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(4-methoxyphenyl)succinamide Formula: C22H22BrN3O5 MolecularWeight: 488.33118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC#C)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC#C)OC

InChI

InChI=1S/C22H22BrN3O5/c1-4-11-31-22-18(23)12-15(13-19(22)30-3)14-24-26-21(28)10-9-20(27)25-16-5-7-17(29-2)8-6-16/h1,5-8,12-14H,9-11H2,2-3H3,(H,25,27)(H,26,28)