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

Systemtic Name: 4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-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)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-3-4-9-23-19(25)15-7-5-13(11-16(15)20(23)26)18(24)22-17-8-6-14(21(27)28)10-12(17)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)(H,27,28)