(3E)-3-[1-[4-[(2R)-oxan-2-yl]oxyphenyl]butylidene]-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-[1-[4-[(2R)-oxan-2-yl]oxyphenyl]butylidene]-2-phenyl-isoindol-1-one Openeye Name: (3E)-2-phenyl-3-[1-[4-[(2R)-tetrahydropyran-2-yl]oxyphenyl]butylidene]isoindolin-1-one CAS Name: (3E)-3-[1-[4-[[(2R)-2-oxanyl]oxy]phenyl]butylidene]-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-[1-[4-[(2R)-oxan-2-yl]oxyphenyl]butylidene]-2-phenylisoindol-1-one Traditional Name: (3E)-2-phenyl-3-[1-[4-[(2R)-tetrahydropyran-2-yl]oxyphenyl]butylidene]isoindolin-1-one Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C4=CC=C(C=C4)OC5CCCCO5

Isomeric SMILES

CCC/C(=C\1/C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)/C4=CC=C(C=C4)O[C@@H]5CCCCO5

InChI

InChI=1S/C29H29NO3/c1-2-10-24(21-16-18-23(19-17-21)33-27-15-8-9-20-32-27)28-25-13-6-7-14-26(25)29(31)30(28)22-11-4-3-5-12-22/h3-7,11-14,16-19,27H,2,8-10,15,20H2,1H3/b28-24+/t27-/m1/s1