methyl (E)-3-(1,3-benzodioxol-5-yl)-2-(3-propoxyphenyl)carbonyl-prop-2-enoate

Systemtic Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-(3-propoxyphenyl)carbonyl-prop-2-enoate Openeye Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-(3-propoxybenzoyl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[oxo-(3-propoxyphenyl)methyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-(3-propoxybenzoyl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(3-propoxybenzoyl)acrylic acid methyl ester Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)OC

InChI

InChI=1S/C21H20O6/c1-3-9-25-16-6-4-5-15(12-16)20(22)17(21(23)24-2)10-14-7-8-18-19(11-14)27-13-26-18/h4-8,10-12H,3,9,13H2,1-2H3/b17-10+