ethyl 3-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]amino]benzoate CAS Name: 3-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]benzoate Traditional Name: 3-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]amino]benzoic acid ethyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

InChI=1S/C23H22N2O6/c1-2-30-23(29)15-5-3-6-16(11-15)24-20(26)14-8-9-18-19(12-14)22(28)25(21(18)27)13-17-7-4-10-31-17/h3,5-6,8-9,11-12,17H,2,4,7,10,13H2,1H3,(H,24,26)