(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-propenoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)acrylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21ClO6 MolecularWeight: 404.84084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)OC

InChI

InChI=1S/C21H21ClO6/c1-3-26-19-8-14(4-6-18(19)24-2)5-7-20(23)27-12-16-10-17(22)9-15-11-25-13-28-21(15)16/h4-10H,3,11-13H2,1-2H3/b7-5+