2-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-isopentyl-2,2-dimethyl-tetrahydropyran-4-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[2,2-dimethyl-4-(3-methylbutyl)-4-oxanyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-isoamyl-2,2-dimethyl-tetrahydropyran-4-yl)ethyl]isoindoline-1,3-quinone Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCOC(C1)(C)C)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CCC1(CCOC(C1)(C)C)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H31NO3/c1-16(2)9-10-22(12-14-26-21(3,4)15-22)11-13-23-19(24)17-7-5-6-8-18(17)20(23)25/h5-8,16H,9-15H2,1-4H3