2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanyl-butyl]-4-(pyrrol-1-ylmethyl)isoindole-1,3-dione

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanyl-butyl]-4-(pyrrol-1-ylmethyl)isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-butyl]-4-(pyrrol-1-ylmethyl)isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxybutyl]-4-(1-pyrrolylmethyl)isoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxybutyl]-4-(pyrrol-1-ylmethyl)isoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-butyl]-4-(pyrrol-1-ylmethyl)isoindoline-1,3-quinone Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(C)O)N2C(=O)C3=C(C2=O)C(=CC=C3)CN4C=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(C)O)N2C(=O)C3=C(C2=O)C(=CC=C3)CN4C=CC=C4)OC

InChI

InChI=1S/C26H28N2O5/c1-4-33-23-15-18(10-11-22(23)32-3)21(14-17(2)29)28-25(30)20-9-7-8-19(24(20)26(28)31)16-27-12-5-6-13-27/h5-13,15,17,21,29H,4,14,16H2,1-3H3