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

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-[3-(2-ketoazepan-1-yl)propyl]acrylamide Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)NCCCN2CCCCCC2=O)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NCCCN2CCCCCC2=O)Cl)OC

InChI

InChI=1S/C21H29ClN2O4/c1-3-28-18-15-16(14-17(22)21(18)27-2)9-10-19(25)23-11-7-13-24-12-6-4-5-8-20(24)26/h9-10,14-15H,3-8,11-13H2,1-2H3,(H,23,25)/b10-9+