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

Systemtic Name: ethyl 4-[[3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-oxo-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[3-oxo-2-(3-pyridinylmethyl)-1H-isoindol-4-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-keto-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C24H21N3O4/c1-2-31-24(30)17-8-10-19(11-9-17)26-22(28)20-7-3-6-18-15-27(23(29)21(18)20)14-16-5-4-12-25-13-16/h3-13H,2,14-15H2,1H3,(H,26,28)