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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-propoxyphenyl)propanoic acid Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-3-(4-propoxyphenyl)propanoic acid CAS Name: 3-(1,3-dioxo-2-isoindolyl)-3-(4-propoxyphenyl)propanoic acid IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-3-(4-propoxyphenyl)propanoic acid Traditional Name: 3-phthalimido-3-(4-propoxyphenyl)propionic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-2-11-26-14-9-7-13(8-10-14)17(12-18(22)23)21-19(24)15-5-3-4-6-16(15)20(21)25/h3-10,17H,2,11-12H2,1H3,(H,22,23)