2-[[(3-acetamido-4-methyl-phenyl)-ethyl-amino]methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[[(3-acetamido-4-methyl-phenyl)-ethyl-amino]methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[(3-acetamido-N-ethyl-4-methyl-anilino)methyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[(3-acetamido-N-ethyl-4-methylanilino)methyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[(3-acetamido-N-ethyl-4-methylanilino)methyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[(3-acetamido-N-ethyl-4-methyl-anilino)methyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)C3=CC(=C(C=C3)C)NC(=O)C

Isomeric SMILES

CCN(CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)C3=CC(=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C21H21N3O5/c1-4-23(15-7-5-12(2)18(10-15)22-13(3)25)11-24-19(26)16-8-6-14(21(28)29)9-17(16)20(24)27/h5-10H,4,11H2,1-3H3,(H,22,25)(H,28,29)