3-[4-[[1,3-bis(oxidanylidene)-2-propyl-isoindol-5-yl]carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[1,3-bis(oxidanylidene)-2-propyl-isoindol-5-yl]carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(1,3-dioxo-2-propyl-isoindoline-5-carbonyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(1,3-dioxo-2-propyl-5-isoindolyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(1,3-dioxo-2-propylisoindole-5-carbonyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(1,3-diketo-2-propyl-isoindoline-5-carbonyl)amino]phenyl]propionic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H20N2O5/c1-2-11-23-20(27)16-9-6-14(12-17(16)21(23)28)19(26)22-15-7-3-13(4-8-15)5-10-18(24)25/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,22,26)(H,24,25)