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

Systemtic Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-N-[3-(2-ketoazepan-1-yl)propyl]acrylamide Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-3-27-18-11-9-17(16-19(18)26-2)10-12-20(24)22-13-7-15-23-14-6-4-5-8-21(23)25/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,24)/b12-10+