2-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21NO5/c1-14(2)19-10-4-15(3)12-22(19)31-18-8-6-17(7-9-18)26-23(27)20-11-5-16(25(29)30)13-21(20)24(26)28/h4-14H,1-3H3,(H,29,30)