ethyl 3-[(3-oxidanylidene-2-propyl-1H-isoindol-4-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(3-oxidanylidene-2-propyl-1H-isoindol-4-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(3-oxo-2-propyl-isoindoline-4-carbonyl)amino]benzoate CAS Name: 3-[[oxo-(3-oxo-2-propyl-1H-isoindol-4-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-oxo-2-propyl-1H-isoindole-4-carbonyl)amino]benzoate Traditional Name: 3-[(3-keto-2-propyl-isoindoline-4-carbonyl)amino]benzoic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O4/c1-3-11-23-13-15-8-6-10-17(18(15)20(23)25)19(24)22-16-9-5-7-14(12-16)21(26)27-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)