N-[[3-chloranyl-5-ethoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyano-ethanamide

Systemtic Name: N-[[3-chloranyl-5-ethoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[3-chloro-5-ethoxy-4-(3-phenylpropoxy)benzyl]-2-cyano-acetamide Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H23ClN2O3/c1-2-26-19-14-17(15-24-20(25)10-11-23)13-18(22)21(19)27-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-10,12,15H2,1H3,(H,24,25)