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

Systemtic Name: 5-(2-bromanylphenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-(2-bromophenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-(2-bromophenoxy)-2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]isoindole-1,3-dione IUPAC Name: 5-(2-bromophenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-(2-bromophenoxy)-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]isoindoline-1,3-quinone Formula: C27H25BrN2O5 MolecularWeight: 537.4018

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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)OC4=CC=CC=C4Br)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4Br)OCCN5CCCC5

InChI

InChI=1S/C27H25BrN2O5/c1-33-25-16-18(8-11-24(25)34-15-14-29-12-4-5-13-29)30-26(31)20-10-9-19(17-21(20)27(30)32)35-23-7-3-2-6-22(23)28/h2-3,6-11,16-17H,4-5,12-15H2,1H3