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

Systemtic Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate Openeye Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-oxo-4-(p-tolyl)but-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-4-oxo-3-(phenylmethyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-methylphenyl)-4-oxobut-2-enoate Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-4-(p-tolyl)but-2-enoic acid methyl ester Formula: C26H22O5 MolecularWeight: 414.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC)/CC4=CC=CC=C4

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/h3-13,15H,14,16H2,1-2H3/b24-21-