(3E)-3-phenethylidene-2-[(4-propoxyphenyl)methyl]isoindol-1-one

Systemtic Name: (3E)-3-phenethylidene-2-[(4-propoxyphenyl)methyl]isoindol-1-one Openeye Name: (3E)-3-phenethylidene-2-[(4-propoxyphenyl)methyl]isoindolin-1-one CAS Name: (3E)-3-phenethylidene-2-[(4-propoxyphenyl)methyl]-1-isoindolone IUPAC Name: (3E)-3-phenethylidene-2-[(4-propoxyphenyl)methyl]isoindol-1-one Traditional Name: (3E)-3-phenethylidene-2-(4-propoxybenzyl)isoindolin-1-one Formula: C26H25NO2 MolecularWeight: 383.4822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN2C(=CCC3=CC=CC=C3)C4=CC=CC=C4C2=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN2/C(=C/CC3=CC=CC=C3)/C4=CC=CC=C4C2=O

InChI

InChI=1S/C26H25NO2/c1-2-18-29-22-15-12-21(13-16-22)19-27-25(17-14-20-8-4-3-5-9-20)23-10-6-7-11-24(23)26(27)28/h3-13,15-17H,2,14,18-19H2,1H3/b25-17+