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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3,4-dipropoxyphenyl)propanoic acid Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-3-(3,4-dipropoxyphenyl)propanoic acid CAS Name: 3-(1,3-dioxo-2-isoindolyl)-3-(3,4-dipropoxyphenyl)propanoic acid IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-3-(3,4-dipropoxyphenyl)propanoic acid Traditional Name: 3-(3,4-dipropoxyphenyl)-3-phthalimido-propionic acid Formula: C23H25NO6 MolecularWeight: 411.4477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OCCC

InChI

InChI=1S/C23H25NO6/c1-3-11-29-19-10-9-15(13-20(19)30-12-4-2)18(14-21(25)26)24-22(27)16-7-5-6-8-17(16)23(24)28/h5-10,13,18H,3-4,11-12,14H2,1-2H3,(H,25,26)