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

Systemtic Name: 2-[3-(methoxymethyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxy-isoindole-1,3-dione Openeye Name: 2-[3-(methoxymethyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxy-isoindoline-1,3-dione CAS Name: 2-[3-(methoxymethyl)-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-5-phenoxyisoindole-1,3-dione IUPAC Name: 2-[3-(methoxymethyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxyisoindole-1,3-dione Traditional Name: 2-[3-(methoxymethyl)-4-(2-pyrrolidinoethoxy)phenyl]-5-phenoxy-isoindoline-1,3-quinone Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4)OCCN5CCCC5

Isomeric SMILES

COCC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4)OCCN5CCCC5

InChI

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