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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-butoxy-3-methoxy-phenyl)propanoic acid Openeye Name: 3-(4-butoxy-3-methoxy-phenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 3-(4-butoxy-3-methoxyphenyl)-3-(1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(4-butoxy-3-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(4-butoxy-3-methoxy-phenyl)-3-phthalimido-propionic acid Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H23NO6/c1-3-4-11-29-18-10-9-14(12-19(18)28-2)17(13-20(24)25)23-21(26)15-7-5-6-8-16(15)22(23)27/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,24,25)