2-[4-[4-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]carbonylphenoxy]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]carbonylphenoxy]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[1-(3-quinolylmethyl)pyrrole-2-carbonyl]phenoxy]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[oxo-[1-(3-quinolinylmethyl)-2-pyrrolyl]methyl]phenoxy]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]phenoxy]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[1-(3-quinolylmethyl)pyrrole-2-carbonyl]phenoxy]butyl]isoindoline-1,3-quinone Formula: C33H27N3O4 MolecularWeight: 529.58518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CN3C=CC=C3C(=O)C4=CC=C(C=C4)OCCCCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CN3C=CC=C3C(=O)C4=CC=C(C=C4)OCCCCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C33H27N3O4/c37-31(30-12-7-17-35(30)22-23-20-25-8-1-4-11-29(25)34-21-23)24-13-15-26(16-14-24)40-19-6-5-18-36-32(38)27-9-2-3-10-28(27)33(36)39/h1-4,7-17,20-21H,5-6,18-19,22H2