(Z)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-3-(phenylmethyl)-4-(4-propan-2-yloxyphenyl)but-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-3-(phenylmethyl)-4-(4-propan-2-yloxyphenyl)but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-isopropoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-oxo-3-(phenylmethyl)-4-(4-propan-2-yloxyphenyl)-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-oxo-4-(4-propan-2-yloxyphenyl)but-2-enoic acid Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-isopropoxyphenyl)-4-keto-but-2-enoic acid Formula: C27H24O6 MolecularWeight: 444.47586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)O)/CC4=CC=CC=C4

InChI

InChI=1S/C27H24O6/c1-17(2)33-21-11-8-19(9-12-21)26(28)22(14-18-6-4-3-5-7-18)25(27(29)30)20-10-13-23-24(15-20)32-16-31-23/h3-13,15,17H,14,16H2,1-2H3,(H,29,30)/b25-22-