3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-(4-methylpiperidin-1-yl)benzoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-(4-methylpiperidin-1-yl)benzoic acid Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-4-(4-methyl-1-piperidyl)benzoic acid CAS Name: 3-(1,3-dioxo-2-isoindolyl)-4-(4-methyl-1-piperidinyl)benzoic acid IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-4-(4-methylpiperidin-1-yl)benzoic acid Traditional Name: 4-(4-methylpiperidino)-3-phthalimido-benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O4/c1-13-8-10-22(11-9-13)17-7-6-14(21(26)27)12-18(17)23-19(24)15-4-2-3-5-16(15)20(23)25/h2-7,12-13H,8-11H2,1H3,(H,26,27)