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

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

Isomeric SMILES

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

InChI

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