3-(3-butoxy-4-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: 3-(3-butoxy-4-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: 3-(3-butoxy-4-methoxy-phenyl)-3-(1-oxoisoindolin-2-yl)propanoic acid CAS Name: 3-(3-butoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: 3-(3-butoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-(3-butoxy-4-methoxy-phenyl)-3-(1-ketoisoindolin-2-yl)propionic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H25NO5/c1-3-4-11-28-20-12-15(9-10-19(20)27-2)18(13-21(24)25)23-14-16-7-5-6-8-17(16)22(23)26/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,24,25)