3-(3-ethoxy-4-methoxy-phenyl)-3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoic acid CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C)OC

InChI

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