(phenylmethyl) 4-[2-(3-methanoylpiperidin-1-yl)-2-oxidanylidene-ethoxy]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(3-methanoylpiperidin-1-yl)-2-oxidanylidene-ethoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(3-formyl-1-piperidyl)-2-oxo-ethoxy]piperidine-1-carboxylate CAS Name: 4-[2-(3-formyl-1-piperidinyl)-2-oxoethoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(3-formylpiperidin-1-yl)-2-oxoethoxy]piperidine-1-carboxylate Traditional Name: 4-[2-(3-formylpiperidino)-2-keto-ethoxy]piperidine-1-carboxylic acid benzyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C=O

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C=O

InChI

InChI=1S/C21H28N2O5/c24-14-18-7-4-10-23(13-18)20(25)16-27-19-8-11-22(12-9-19)21(26)28-15-17-5-2-1-3-6-17/h1-3,5-6,14,18-19H,4,7-13,15-16H2