methyl 3-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoate

Systemtic Name: methyl 3-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoate Openeye Name: methyl 3-[4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoylamino]benzoate CAS Name: 3-[[4-(5-methyl-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]benzoate Traditional Name: 3-[4-(1,3-diketo-5-methyl-isoindolin-2-yl)butanoylamino]benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-13-8-9-16-17(11-13)20(26)23(19(16)25)10-4-7-18(24)22-15-6-3-5-14(12-15)21(27)28-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,22,24)