propan-2-yl 4-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]benzoate Openeye Name: isopropyl 4-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]benzoic acid isopropyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O4/c1-14(2)28-22(27)16-8-10-17(11-9-16)23-20(25)12-13-24-15(3)18-6-4-5-7-19(18)21(24)26/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)