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

Systemtic Name: 4-[[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]methyl]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5/c1-2-3-10-23-19(25)16-9-8-15(11-17(16)20(23)26)18(24)22-12-13-4-6-14(7-5-13)21(27)28/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)(H,27,28)