4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid 4-phthalimidobutyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H24N4O4/c25-15-17-7-8-21(26-16-17)27-12-9-18(10-13-27)24(31)32-14-4-3-11-28-22(29)19-5-1-2-6-20(19)23(28)30/h1-2,5-8,16,18H,3-4,9-14H2