2-[[4-ethoxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-ethoxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[[4-(2-hydroxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5O

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5O

InChI

InChI=1S/C28H27N3O5/c1-2-36-25-12-11-19(18-31-27(34)20-7-3-4-8-21(20)28(31)35)17-22(25)26(33)30-15-13-29(14-16-30)23-9-5-6-10-24(23)32/h3-12,17,32H,2,13-16,18H2,1H3