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

Systemtic Name: 5-(2-ethylphenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-(2-ethylphenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-(2-ethylphenoxy)-2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]isoindole-1,3-dione IUPAC Name: 5-(2-ethylphenoxy)-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-(2-ethylphenoxy)-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]isoindoline-1,3-quinone Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)OCCN5CCCC5)OC

Isomeric SMILES

CCC1=CC=CC=C1OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)OCCN5CCCC5)OC

InChI

InChI=1S/C29H30N2O5/c1-3-20-8-4-5-9-25(20)36-22-11-12-23-24(19-22)29(33)31(28(23)32)21-10-13-26(27(18-21)34-2)35-17-16-30-14-6-7-15-30/h4-5,8-13,18-19H,3,6-7,14-17H2,1-2H3