methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)carbonyl-4-phenyl-but-3-enoate

Systemtic Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)carbonyl-4-phenyl-but-3-enoate Openeye Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(4-methoxybenzoyl)-4-phenyl-but-3-enoate CAS Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)-oxomethyl]-4-phenyl-3-butenoic acid methyl ester IUPAC Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(4-methoxybenzoyl)-4-phenylbut-3-enoate Traditional Name: (E)-2-(1,3-benzodioxol-5-yl)-3-p-anisoyl-4-phenyl-but-3-enoic acid methyl ester Formula: C26H22O6 MolecularWeight: 430.44928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2)/C(C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C26H22O6/c1-29-20-11-8-18(9-12-20)25(27)21(14-17-6-4-3-5-7-17)24(26(28)30-2)19-10-13-22-23(15-19)32-16-31-22/h3-15,24H,16H2,1-2H3/b21-14+