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

Systemtic Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylazanyl-isoindole-1,3-dione Openeye Name: 5-anilino-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-anilino-2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]isoindole-1,3-dione IUPAC Name: 5-anilino-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-anilino-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]isoindoline-1,3-quinone Formula: C27H27N3O4 MolecularWeight: 457.52098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC4=CC=CC=C4)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC4=CC=CC=C4)OCCN5CCCC5

InChI

InChI=1S/C27H27N3O4/c1-33-25-18-21(10-12-24(25)34-16-15-29-13-5-6-14-29)30-26(31)22-11-9-20(17-23(22)27(30)32)28-19-7-3-2-4-8-19/h2-4,7-12,17-18,28H,5-6,13-16H2,1H3