N'-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide

Systemtic Name: N'-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide Openeye Name: N'-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-(4-ethoxyphenyl)propanediamide CAS Name: N'-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide IUPAC Name: N'-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide Traditional Name: N'-[(3-chloro-5-methoxy-4-propargyloxy-benzylidene)amino]-N-p-phenetyl-malonamide Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)Cl)OCC#C)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C(=C2)Cl)OCC#C)OC

InChI

InChI=1S/C22H22ClN3O5/c1-4-10-31-22-18(23)11-15(12-19(22)29-3)14-24-26-21(28)13-20(27)25-16-6-8-17(9-7-16)30-5-2/h1,6-9,11-12,14H,5,10,13H2,2-3H3,(H,25,27)(H,26,28)