2-[4-[methyl-(phenylmethyl)amino]butyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-[methyl-(phenylmethyl)amino]butyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-[benzyl(methyl)amino]butyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-[methyl-(phenylmethyl)amino]butyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-[benzyl(methyl)amino]butyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[4-[benzyl(methyl)amino]butyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-22(14-15-7-3-2-4-8-15)11-5-6-12-23-19(24)17-10-9-16(21(26)27)13-18(17)20(23)25/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,26,27)