2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C21H21NO6/c1-3-27-17-8-5-13(11-18(17)28-4-2)9-10-22-19(23)15-7-6-14(21(25)26)12-16(15)20(22)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,25,26)