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

Systemtic Name: 2-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-phenoxy-isoindole-1,3-dione Openeye Name: 2-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-phenoxy-isoindoline-1,3-dione CAS Name: 2-[3-methoxy-4-[3-(1-pyrrolidinyl)propoxy]phenyl]-5-phenoxyisoindole-1,3-dione IUPAC Name: 2-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-phenoxyisoindole-1,3-dione Traditional Name: 2-[3-methoxy-4-(3-pyrrolidinopropoxy)phenyl]-5-phenoxy-isoindoline-1,3-quinone Formula: C28H28N2O5 MolecularWeight: 472.53232

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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)OCCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4)OCCCN5CCCC5

InChI

InChI=1S/C28H28N2O5/c1-33-26-18-20(10-13-25(26)34-17-7-16-29-14-5-6-15-29)30-27(31)23-12-11-22(19-24(23)28(30)32)35-21-8-3-2-4-9-21/h2-4,8-13,18-19H,5-7,14-17H2,1H3