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

Systemtic Name: N'-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(2-methylphenyl)butanediamide Openeye Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(o-tolyl)butanediamide CAS Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide IUPAC Name: N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide Traditional Name: N'-[(3-iodo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-(o-tolyl)succinamide Formula: C22H22IN3O4 MolecularWeight: 519.33225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=CC(=C(C(=C2)I)OCC#C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)NN=CC2=CC(=C(C(=C2)I)OCC#C)OC

InChI

InChI=1S/C22H22IN3O4/c1-4-11-30-22-17(23)12-16(13-19(22)29-3)14-24-26-21(28)10-9-20(27)25-18-8-6-5-7-15(18)2/h1,5-8,12-14H,9-11H2,2-3H3,(H,25,27)(H,26,28)