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

Systemtic Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate Openeye Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-ethylphenyl)-4-oxo-but-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-oxo-3-(phenylmethyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-ethylphenyl)-4-oxobut-2-enoate Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-ethylphenyl)-4-keto-but-2-enoic acid methyl ester Formula: C27H24O5 MolecularWeight: 428.47646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC)/CC4=CC=CC=C4

InChI

InChI=1S/C27H24O5/c1-3-18-9-11-20(12-10-18)26(28)22(15-19-7-5-4-6-8-19)25(27(29)30-2)21-13-14-23-24(16-21)32-17-31-23/h4-14,16H,3,15,17H2,1-2H3/b25-22-