2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(3-methylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C21H19NO3/c1-14-5-4-6-17(13-14)25-16-11-9-15(10-12-16)22-20(23)18-7-2-3-8-19(18)21(22)24/h2-6,9-13,18-19H,7-8H2,1H3