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

Systemtic Name: N-[[3-chloranyl-5-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[3-chloro-5-methoxy-4-(3-phenylpropoxy)benzyl]-2-cyano-acetamide Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H21ClN2O3/c1-25-18-13-16(14-23-19(24)9-10-22)12-17(21)20(18)26-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-9,11,14H2,1H3,(H,23,24)