2-[2-[(3-acetamidophenyl)-ethyl-amino]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[2-[(3-acetamidophenyl)-ethyl-amino]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-(3-acetamido-N-ethyl-anilino)ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[2-(3-acetamido-N-ethylanilino)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[2-(3-acetamido-N-ethylanilino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[2-(3-acetamido-N-ethyl-anilino)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)C3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCN(CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)C3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H21N3O5/c1-3-23(16-6-4-5-15(12-16)22-13(2)25)9-10-24-19(26)17-8-7-14(21(28)29)11-18(17)20(24)27/h4-8,11-12H,3,9-10H2,1-2H3,(H,22,25)(H,28,29)