4-chloranyl-N-[2-(cyanomethyl)-4,5-dimethoxy-phenyl]butanamide

Systemtic Name: 4-chloranyl-N-[2-(cyanomethyl)-4,5-dimethoxy-phenyl]butanamide Openeye Name: 4-chloro-N-[2-(cyanomethyl)-4,5-dimethoxy-phenyl]butanamide CAS Name: 4-chloro-N-[2-(cyanomethyl)-4,5-dimethoxyphenyl]butanamide IUPAC Name: 4-chloro-N-[2-(cyanomethyl)-4,5-dimethoxyphenyl]butanamide Traditional Name: 4-chloro-N-[2-(cyanomethyl)-4,5-dimethoxy-phenyl]butyramide Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC#N)NC(=O)CCCCl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC#N)NC(=O)CCCCl)OC

InChI

InChI=1S/C14H17ClN2O3/c1-19-12-8-10(5-7-16)11(9-13(12)20-2)17-14(18)4-3-6-15/h8-9H,3-6H2,1-2H3,(H,17,18)