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

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-3-methyl-butyl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-diethoxyphenyl)-3-methyl-butyl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-diethoxyphenyl)-3-methylbutyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-3-methylbutyl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-diethoxyphenyl)-3-methyl-butyl]isoindoline-1,3-quinone Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O)OCC

InChI

InChI=1S/C23H27NO4/c1-5-27-20-12-11-16(14-21(20)28-6-2)19(13-15(3)4)24-22(25)17-9-7-8-10-18(17)23(24)26/h7-12,14-15,19H,5-6,13H2,1-4H3