3-[1,3-bis(oxidanylidene)-5-(3-phenylpropanoylamino)isoindol-2-yl]propanoate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(3-phenylpropanoylamino)isoindol-2-yl]propanoate Openeye Name: 3-[1,3-dioxo-5-(3-phenylpropanoylamino)isoindolin-2-yl]propanoate CAS Name: 3-[1,3-dioxo-5-[(1-oxo-3-phenylpropyl)amino]-2-isoindolyl]propanoate IUPAC Name: 3-[1,3-dioxo-5-(3-phenylpropanoylamino)isoindol-2-yl]propanoate Traditional Name: 3-[5-(hydrocinnamoylamino)-1,3-diketo-isoindolin-2-yl]propionate Formula: C20H17N2O5- MolecularWeight: 365.35938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

InChI

InChI=1S/C20H18N2O5/c23-17(9-6-13-4-2-1-3-5-13)21-14-7-8-15-16(12-14)20(27)22(19(15)26)11-10-18(24)25/h1-5,7-8,12H,6,9-11H2,(H,21,23)(H,24,25)/p-1