3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3,4-diethoxyphenyl)propanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3,4-diethoxyphenyl)propanoic acid Openeye Name: 3-(3,4-diethoxyphenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 3-(3,4-diethoxyphenyl)-3-(1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(3,4-diethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(3,4-diethoxyphenyl)-3-phthalimido-propionic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OCC

InChI

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