N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-cyano-5-(2-oxidanylbutanoylamino)benzene-1,4-dicarboxamide

Systemtic Name: N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-cyano-5-(2-oxidanylbutanoylamino)benzene-1,4-dicarboxamide Openeye Name: N4-[(3-chloro-4-methoxy-phenyl)methyl]-2-cyano-5-(2-hydroxybutanoylamino)terephthalamide CAS Name: N4-[(3-chloro-4-methoxyphenyl)methyl]-2-cyano-5-[(2-hydroxy-1-oxobutyl)amino]benzene-1,4-dicarboxamide IUPAC Name: 4-N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyano-5-(2-hydroxybutanoylamino)benzene-1,4-dicarboxamide Traditional Name: N'-(3-chloro-4-methoxy-benzyl)-2-cyano-5-(2-hydroxybutanoylamino)terephthalamide Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)C(=O)N)C#N)C(=O)NCC2=CC(=C(C=C2)OC)Cl)O

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)C(=O)N)C#N)C(=O)NCC2=CC(=C(C=C2)OC)Cl)O

InChI

InChI=1S/C21H21ClN4O5/c1-3-17(27)21(30)26-16-8-13(19(24)28)12(9-23)7-14(16)20(29)25-10-11-4-5-18(31-2)15(22)6-11/h4-8,17,27H,3,10H2,1-2H3,(H2,24,28)(H,25,29)(H,26,30)