5-bromanyl-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]isoindoline-1,3-quinone Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)OCCN4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)OCCN4CCCC4

InChI

InChI=1S/C21H21BrN2O4/c1-27-19-13-15(5-7-18(19)28-11-10-23-8-2-3-9-23)24-20(25)16-6-4-14(22)12-17(16)21(24)26/h4-7,12-13H,2-3,8-11H2,1H3