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

Systemtic Name: 5-(3-chloranylphenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-(3-chlorophenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-(3-chlorophenoxy)-2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]isoindole-1,3-dione IUPAC Name: 5-(3-chlorophenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-(3-chlorophenoxy)-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]isoindoline-1,3-quinone Formula: C27H25ClN2O5 MolecularWeight: 492.9508

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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=C4)Cl)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC(=CC=C4)Cl)OCCN5CCCC5

InChI

InChI=1S/C27H25ClN2O5/c1-33-25-16-19(7-10-24(25)34-14-13-29-11-2-3-12-29)30-26(31)22-9-8-21(17-23(22)27(30)32)35-20-6-4-5-18(28)15-20/h4-10,15-17H,2-3,11-14H2,1H3