methyl 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]benzoate Traditional Name: 4-[(4-phthalimidobutanoylamino)methyl]benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5/c1-28-21(27)15-10-8-14(9-11-15)13-22-18(24)7-4-12-23-19(25)16-5-2-3-6-17(16)20(23)26/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,24)