2-[4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-methyl-phenoxy]acetic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)OCC(=O)O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)OCC(=O)O)C

InChI

InChI=1S/C22H22N2O6/c1-3-4-9-24-21(28)16-7-5-14(11-17(16)22(24)29)20(27)23-18-8-6-15(10-13(18)2)30-12-19(25)26/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,23,27)(H,25,26)