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

Systemtic Name: 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoate Openeye Name: 3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzoate CAS Name: 3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzoate IUPAC Name: 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate Traditional Name: 3-(4-phthalimidobutanoylamino)benzoate Formula: C19H15N2O5- MolecularWeight: 351.3328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H16N2O5/c22-16(20-13-6-3-5-12(11-13)19(25)26)9-4-10-21-17(23)14-7-1-2-8-15(14)18(21)24/h1-3,5-8,11H,4,9-10H2,(H,20,22)(H,25,26)/p-1