2-[2-(1-oxidanylidene-1-phenyl-pentan-2-yl)oxyphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[2-(1-oxidanylidene-1-phenyl-pentan-2-yl)oxyphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-(1-benzoylbutoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-(1-oxo-1-phenylpentan-2-yl)oxyphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-(1-oxo-1-phenylpentan-2-yl)oxyphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-(1-benzoylbutoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC2=CC=CC=C2N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC2=CC=CC=C2N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C25H25NO4/c1-2-10-22(23(27)17-11-4-3-5-12-17)30-21-16-9-8-15-20(21)26-24(28)18-13-6-7-14-19(18)25(26)29/h3-9,11-12,15-16,18-19,22H,2,10,13-14H2,1H3