(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-N-[3-(2-ketoazepan-1-yl)propyl]acrylamide Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)NCCCN2CCCCCC2=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NCCCN2CCCCCC2=O)OC

InChI

InChI=1S/C22H31ClN2O4/c1-3-14-29-22-18(23)15-17(16-19(22)28-2)9-10-20(26)24-11-7-13-25-12-6-4-5-8-21(25)27/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,24,26)/b10-9+