2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxy-3H-isoindol-1-one

Systemtic Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxy-3H-isoindol-1-one Openeye Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxy-isoindolin-1-one CAS Name: 2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-5-phenoxy-3H-isoindol-1-one IUPAC Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxy-3H-isoindol-1-one Traditional Name: 2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-5-phenoxy-isoindolin-1-one Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CC3=C(C2=O)C=CC(=C3)OC4=CC=CC=C4)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2CC3=C(C2=O)C=CC(=C3)OC4=CC=CC=C4)OCCN5CCCC5

InChI

InChI=1S/C27H28N2O4/c1-31-26-18-21(9-12-25(26)32-16-15-28-13-5-6-14-28)29-19-20-17-23(10-11-24(20)27(29)30)33-22-7-3-2-4-8-22/h2-4,7-12,17-18H,5-6,13-16,19H2,1H3