2-[1-(4-methylphenyl)-2-(4-octoxyphenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(4-methylphenyl)-2-(4-octoxyphenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[2-(4-octoxyphenyl)-4-oxo-1-(p-tolyl)azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[1-(4-methylphenyl)-2-(4-octoxyphenyl)-4-oxo-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[1-(4-methylphenyl)-2-(4-octoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-4-(4-octoxyphenyl)-1-(p-tolyl)azetidin-3-yl]isoindoline-1,3-quinone Formula: C32H34N2O4 MolecularWeight: 510.62336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)C)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)C)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C32H34N2O4/c1-3-4-5-6-7-10-21-38-25-19-15-23(16-20-25)28-29(32(37)33(28)24-17-13-22(2)14-18-24)34-30(35)26-11-8-9-12-27(26)31(34)36/h8-9,11-20,28-29H,3-7,10,21H2,1-2H3