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

Systemtic Name: N'-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide Openeye Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(4-methoxyphenyl)butanediamide CAS Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide IUPAC Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide Traditional Name: N'-[(3-iodo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(4-methoxyphenyl)succinamide Formula: C22H22IN3O5 MolecularWeight: 535.33165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22IN3O5/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)