4-(1-methoxy-4-methyl-1-phenyl-pentan-2-yl)isoindole-1,3-dione

Systemtic Name: 4-(1-methoxy-4-methyl-1-phenyl-pentan-2-yl)isoindole-1,3-dione Openeye Name: 4-[1-[methoxy(phenyl)methyl]-3-methyl-butyl]isoindoline-1,3-dione CAS Name: 4-(1-methoxy-4-methyl-1-phenylpentan-2-yl)isoindole-1,3-dione IUPAC Name: 4-(1-methoxy-4-methyl-1-phenylpentan-2-yl)isoindole-1,3-dione Traditional Name: 4-[1-[methoxy(phenyl)methyl]-3-methyl-butyl]isoindoline-1,3-quinone Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=C1C(=O)NC2=O)C(C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)CC(C1=CC=CC2=C1C(=O)NC2=O)C(C3=CC=CC=C3)OC

InChI

InChI=1S/C21H23NO3/c1-13(2)12-17(19(25-3)14-8-5-4-6-9-14)15-10-7-11-16-18(15)21(24)22-20(16)23/h4-11,13,17,19H,12H2,1-3H3,(H,22,23,24)