ethyl 4-[(4-butoxy-3-chloranyl-5-ethoxy-phenyl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-butoxy-3-chloranyl-5-ethoxy-phenyl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(4-butoxy-3-chloro-5-ethoxy-benzoyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(4-butoxy-3-chloro-5-ethoxyphenyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(4-butoxy-3-chloro-5-ethoxy-benzoyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31ClN2O5 MolecularWeight: 426.93424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2CCN(CC2)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2CCN(CC2)C(=O)OCC)OCC

InChI

InChI=1S/C21H31ClN2O5/c1-4-7-12-29-19-17(22)13-15(14-18(19)27-5-2)20(25)23-16-8-10-24(11-9-16)21(26)28-6-3/h13-14,16H,4-12H2,1-3H3,(H,23,25)