O1-[iodanyl(phenyl)methyl] O4-piperidin-4-yl (E)-2-methyl-3-propyl-but-2-enedioate

Systemtic Name: O1-[iodanyl(phenyl)methyl] O4-piperidin-4-yl (E)-2-methyl-3-propyl-but-2-enedioate Openeye Name: O1-[iodo(phenyl)methyl] O4-(4-piperidyl) (E)-2-methyl-3-propyl-but-2-enedioate CAS Name: (E)-2-methyl-3-propyl-2-butenedioic acid O1-[iodo(phenyl)methyl] ester O4-(4-piperidinyl) ester IUPAC Name: 1-O-[iodo(phenyl)methyl] 4-O-piperidin-4-yl (E)-2-methyl-3-propylbut-2-enedioate Traditional Name: (E)-2-methyl-3-propyl-but-2-enedioic acid O1-[iodo(phenyl)methyl] ester O4-(4-piperidyl) ester Formula: C20H26INO4 MolecularWeight: 471.32921

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(C)C(=O)OC(C1=CC=CC=C1)I)C(=O)OC2CCNCC2

Isomeric SMILES

CCC/C(=C(/C)\C(=O)OC(C1=CC=CC=C1)I)/C(=O)OC2CCNCC2

InChI

InChI=1S/C20H26INO4/c1-3-7-17(20(24)25-16-10-12-22-13-11-16)14(2)19(23)26-18(21)15-8-5-4-6-9-15/h4-6,8-9,16,18,22H,3,7,10-13H2,1-2H3/b17-14+