tert-butyl 4-[(3-chloranyl-4-ethanoyl-phenyl)carbamoyloxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-chloranyl-4-ethanoyl-phenyl)carbamoyloxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-acetyl-3-chloro-phenyl)carbamoyloxymethyl]piperidine-1-carboxylate CAS Name: 4-[[(4-acetyl-3-chloroanilino)-oxomethoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-acetyl-3-chlorophenyl)carbamoyloxymethyl]piperidine-1-carboxylate Traditional Name: 4-[(4-acetyl-3-chloro-phenyl)carbamoyloxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27ClN2O5 MolecularWeight: 410.89178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)NC(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)NC(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C20H27ClN2O5/c1-13(24)16-6-5-15(11-17(16)21)22-18(25)27-12-14-7-9-23(10-8-14)19(26)28-20(2,3)4/h5-6,11,14H,7-10,12H2,1-4H3,(H,22,25)