5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-piperidin-1-yl-benzoic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-piperidin-1-yl-benzoic acid Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-2-(1-piperidyl)benzoic acid CAS Name: 5-(1,3-dioxo-2-isoindolyl)-2-(1-piperidinyl)benzoic acid IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-2-piperidin-1-ylbenzoic acid Traditional Name: 5-phthalimido-2-piperidino-benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C20H18N2O4/c23-18-14-6-2-3-7-15(14)19(24)22(18)13-8-9-17(16(12-13)20(25)26)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,25,26)