3-(3,4-diethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: 3-(3,4-diethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: 3-(3,4-diethoxyphenyl)-3-(1-oxoisoindolin-2-yl)propanoic acid CAS Name: 3-(3,4-diethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: 3-(3,4-diethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-(3,4-diethoxyphenyl)-3-(1-ketoisoindolin-2-yl)propionic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O)OCC

InChI

InChI=1S/C21H23NO5/c1-3-26-18-10-9-14(11-19(18)27-4-2)17(12-20(23)24)22-13-15-7-5-6-8-16(15)21(22)25/h5-11,17H,3-4,12-13H2,1-2H3,(H,23,24)