methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1H-isoindol-2-yl]benzoate

Systemtic Name: methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1H-isoindol-2-yl]benzoate Openeye Name: methyl 4-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)isoindolin-2-yl]benzoate CAS Name: 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-1H-isoindol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1H-isoindol-2-yl]benzoate Traditional Name: 4-[1-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)isoindolin-2-yl]benzoic acid methyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H20N2O5/c1-30-25(29)16-6-9-19(10-7-16)27-15-18-4-2-3-5-20(18)23(27)26-24(28)17-8-11-21-22(14-17)32-13-12-31-21/h2-11,14H,12-13,15H2,1H3