2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2C(=O)C3CC=CCC3C2=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2C(=O)C3CC=CCC3C2=O)C(C)C

InChI

InChI=1S/C20H25NO3/c1-13(2)16-9-8-15(12-14(16)3)24-11-10-21-19(22)17-6-4-5-7-18(17)20(21)23/h4-5,8-9,12-13,17-18H,6-7,10-11H2,1-3H3