2-[(4-pentylphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-pentylphenyl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-pentylphenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-pentylphenyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-pentylphenyl)methyl]isoindole-1,3-dione Traditional Name: 2-(4-amylbenzyl)isoindoline-1,3-quinone Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21NO2/c1-2-3-4-7-15-10-12-16(13-11-15)14-21-19(22)17-8-5-6-9-18(17)20(21)23/h5-6,8-13H,2-4,7,14H2,1H3