N-[2-(4-butylphenyl)-3H-isoindol-1-ylidene]-4-phenoxy-benzamide

Systemtic Name: N-[2-(4-butylphenyl)-3H-isoindol-1-ylidene]-4-phenoxy-benzamide Openeye Name: N-[2-(4-butylphenyl)isoindolin-1-ylidene]-4-phenoxy-benzamide CAS Name: N-[2-(4-butylphenyl)-3H-isoindol-1-ylidene]-4-phenoxybenzamide IUPAC Name: N-[2-(4-butylphenyl)-3H-isoindol-1-ylidene]-4-phenoxybenzamide Traditional Name: N-[2-(4-butylphenyl)isoindolin-1-ylidene]-4-phenoxy-benzamide Formula: C31H28N2O2 MolecularWeight: 460.56622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O2/c1-2-3-9-23-14-18-26(19-15-23)33-22-25-10-7-8-13-29(25)30(33)32-31(34)24-16-20-28(21-17-24)35-27-11-5-4-6-12-27/h4-8,10-21H,2-3,9,22H2,1H3