methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-phenyl-3-(phenylmethyl)but-2-enoate

Systemtic Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-phenyl-3-(phenylmethyl)but-2-enoate Openeye Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-oxo-4-phenyl-but-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-oxo-4-phenyl-3-(phenylmethyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-oxo-4-phenylbut-2-enoate Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-4-phenyl-but-2-enoic acid methyl ester Formula: C25H20O5 MolecularWeight: 400.4233

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)/C(=C(/CC1=CC=CC=C1)\C(=O)C2=CC=CC=C2)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H20O5/c1-28-25(27)23(19-12-13-21-22(15-19)30-16-29-21)20(14-17-8-4-2-5-9-17)24(26)18-10-6-3-7-11-18/h2-13,15H,14,16H2,1H3/b23-20-