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

Systemtic Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)carbonyl-4-phenyl-but-3-enoate Openeye Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(4-methylbenzoyl)-4-phenyl-but-3-enoate CAS Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)-oxomethyl]-4-phenyl-3-butenoic acid methyl ester IUPAC Name: methyl (E)-2-(1,3-benzodioxol-5-yl)-3-(4-methylbenzoyl)-4-phenylbut-3-enoate Traditional Name: (E)-2-(1,3-benzodioxol-5-yl)-4-phenyl-3-p-toluoyl-but-3-enoic acid methyl ester Formula: C26H22O5 MolecularWeight: 414.44988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=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/C26H22O5/c1-17-8-10-19(11-9-17)25(27)21(14-18-6-4-3-5-7-18)24(26(28)29-2)20-12-13-22-23(15-20)31-16-30-22/h3-15,24H,16H2,1-2H3/b21-14+