methyl 2-[(3-oxidanylidene-1-pyrrol-1-yl-1H-isoindol-2-yl)methyl]benzoate

Systemtic Name: methyl 2-[(3-oxidanylidene-1-pyrrol-1-yl-1H-isoindol-2-yl)methyl]benzoate Openeye Name: methyl 2-[(1-oxo-3-pyrrol-1-yl-isoindolin-2-yl)methyl]benzoate CAS Name: 2-[[3-oxo-1-(1-pyrrolyl)-1H-isoindol-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-oxo-1-pyrrol-1-yl-1H-isoindol-2-yl)methyl]benzoate Traditional Name: 2-[(1-keto-3-pyrrol-1-yl-isoindolin-2-yl)methyl]benzoic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2C(C3=CC=CC=C3C2=O)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2C(C3=CC=CC=C3C2=O)N4C=CC=C4

InChI

InChI=1S/C21H18N2O3/c1-26-21(25)16-9-3-2-8-15(16)14-23-19(22-12-6-7-13-22)17-10-4-5-11-18(17)20(23)24/h2-13,19H,14H2,1H3