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

Systemtic Name: methyl 2-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-5-morpholino-benzoate CAS Name: 2-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-5-morpholino-benzoic acid methyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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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)N4CCOCC4)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C25H27N3O6/c1-3-4-9-28-23(30)18-7-5-16(14-19(18)24(28)31)22(29)26-21-8-6-17(15-20(21)25(32)33-2)27-10-12-34-13-11-27/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,26,29)