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

Systemtic Name: 2-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-phenoxy-isoindole-1,3-dione Openeye Name: 2-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-phenoxy-isoindoline-1,3-dione CAS Name: 2-[3-methoxy-4-[3-(1-pyrrolidinyl)propyl]phenyl]-5-phenoxyisoindole-1,3-dione IUPAC Name: 2-[3-methoxy-4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-phenoxyisoindole-1,3-dione Traditional Name: 2-[3-methoxy-4-(3-pyrrolidinopropyl)phenyl]-5-phenoxy-isoindoline-1,3-quinone Formula: C28H28N2O4 MolecularWeight: 456.53292

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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)CCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4)CCCN5CCCC5

InChI

InChI=1S/C28H28N2O4/c1-33-26-18-21(12-11-20(26)8-7-17-29-15-5-6-16-29)30-27(31)24-14-13-23(19-25(24)28(30)32)34-22-9-3-2-4-10-22/h2-4,9-14,18-19H,5-8,15-17H2,1H3