2-[3-[(2-chlorophenyl)methyl-(2-oxidanylpropyl)amino]-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl-(2-oxidanylpropyl)amino]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(2-chlorophenyl)methyl-(2-hydroxypropyl)amino]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(2-chlorophenyl)methyl-(2-hydroxypropyl)amino]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(2-chlorophenyl)methyl-(2-hydroxypropyl)amino]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(2-chlorobenzyl)-(2-hydroxypropyl)amino]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC1=CC=CC=C1Cl)CC(CN2C(=O)C3=CC=CC=C3C2=O)O)O

Isomeric SMILES

CC(CN(CC1=CC=CC=C1Cl)CC(CN2C(=O)C3=CC=CC=C3C2=O)O)O

InChI

InChI=1S/C21H23ClN2O4/c1-14(25)10-23(11-15-6-2-5-9-19(15)22)12-16(26)13-24-20(27)17-7-3-4-8-18(17)21(24)28/h2-9,14,16,25-26H,10-13H2,1H3