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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid 4-phthalimidobutyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c29-22-20-10-4-5-11-21(20)23(30)28(22)14-6-7-17-33-24(31)18-12-15-27(16-13-18)25(32)26-19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2,(H,26,32)