methyl 4-[[3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-oxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[3-oxo-2-(2-oxolanylmethyl)-1H-isoindol-4-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-keto-2-(tetrahydrofurfuryl)isoindoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4

InChI

InChI=1S/C22H22N2O5/c1-28-22(27)14-7-9-16(10-8-14)23-20(25)18-6-2-4-15-12-24(21(26)19(15)18)13-17-5-3-11-29-17/h2,4,6-10,17H,3,5,11-13H2,1H3,(H,23,25)