ethyl 4-[3-oxidanylidene-4-(pyridin-2-ylmethylcarbamoyl)-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-oxidanylidene-4-(pyridin-2-ylmethylcarbamoyl)-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-oxo-7-(2-pyridylmethylcarbamoyl)isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[3-oxo-4-[oxo-(2-pyridinylmethylamino)methyl]-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-7-(2-pyridylmethylcarbamoyl)isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H26N4O4/c1-2-31-23(30)26-12-9-18(10-13-26)27-15-16-6-5-8-19(20(16)22(27)29)21(28)25-14-17-7-3-4-11-24-17/h3-8,11,18H,2,9-10,12-15H2,1H3,(H,25,28)