tert-butyl 4-[1,3-bis(oxidanylidene)-7a-propyl-3aH-isoindol-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1,3-bis(oxidanylidene)-7a-propyl-3aH-isoindol-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1,3-dioxo-7a-propyl-3aH-isoindol-4-yl)piperidine-1-carboxylate CAS Name: 4-(1,3-dioxo-7a-propyl-3aH-isoindol-4-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-dioxo-7a-propyl-3aH-isoindol-4-yl)piperidine-1-carboxylate Traditional Name: 4-(1,3-diketo-7a-propyl-3aH-isoindol-4-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C=CC=C(C1C(=O)NC2=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC12C=CC=C(C1C(=O)NC2=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N2O4/c1-5-10-21-11-6-7-15(16(21)17(24)22-18(21)25)14-8-12-23(13-9-14)19(26)27-20(2,3)4/h6-7,11,14,16H,5,8-10,12-13H2,1-4H3,(H,22,24,25)