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

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-4-(4-propan-2-yloxyphenyl)but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-isopropoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4-(4-propan-2-yloxyphenyl)-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4-(4-propan-2-yloxyphenyl)but-2-enoic acid Traditional Name: (Z)-4-(4-isopropoxyphenyl)-4-keto-2-piperonyl-but-2-enoic acid Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C=C(CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)/C=C(/CC2=CC3=C(C=C2)OCO3)\C(=O)O

InChI

InChI=1S/C21H20O6/c1-13(2)27-17-6-4-15(5-7-17)18(22)11-16(21(23)24)9-14-3-8-19-20(10-14)26-12-25-19/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)/b16-11-