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

Systemtic Name: methyl 3-[[2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoate CAS Name: 3-[[[2-(3-methoxypropyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate Traditional Name: 3-[[1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carbonyl]amino]benzoic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-28-10-4-9-23-19(25)16-8-7-13(12-17(16)20(23)26)18(24)22-15-6-3-5-14(11-15)21(27)29-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,22,24)