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

Systemtic Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(phenylmethyl)isoindole-1,3-dione Openeye Name: 5-benzyl-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindoline-1,3-dione CAS Name: 2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-5-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 5-benzyl-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-benzyl-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]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)CC4=CC=CC=C4)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)CC4=CC=CC=C4)OCCN5CCCC5

InChI

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