(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylamide Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)OC

InChI

InChI=1S/C21H22ClNO5/c1-3-26-19-12-14(11-16(22)21(19)25-2)5-8-20(24)23-15-6-7-17-18(13-15)28-10-4-9-27-17/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,24)/b8-5+