2-[2-(4-butoxyphenyl)-1-(3,5-dimethylphenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-butoxyphenyl)-1-(3,5-dimethylphenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[2-(4-butoxyphenyl)-1-(3,5-dimethylphenyl)-4-oxo-azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[2-(4-butoxyphenyl)-1-(3,5-dimethylphenyl)-4-oxo-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-butoxyphenyl)-1-(3,5-dimethylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-(4-butoxyphenyl)-1-(3,5-dimethylphenyl)-4-keto-azetidin-3-yl]isoindoline-1,3-quinone Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=CC(=C3)C)C)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=CC(=C3)C)C)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H28N2O4/c1-4-5-14-35-22-12-10-20(11-13-22)25-26(29(34)30(25)21-16-18(2)15-19(3)17-21)31-27(32)23-8-6-7-9-24(23)28(31)33/h6-13,15-17,25-26H,4-5,14H2,1-3H3