cyclohexyl 4-azanyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate; ethanedioate

Systemtic Name: cyclohexyl 4-azanyl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate; ethanedioate Openeye Name: cyclohexyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate; oxalate CAS Name: 4-amino-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid cyclohexyl ester; oxalate IUPAC Name: cyclohexyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate; oxalate Traditional Name: 4-amino-1-(4-chlorobenzyl)isonipecotic acid cyclohexyl ester; oxalate Formula: C21H27ClN2O6-2 MolecularWeight: 438.90188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2(CCN(CC2)CC3=CC=C(C=C3)Cl)N.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)C2(CCN(CC2)CC3=CC=C(C=C3)Cl)N.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H27ClN2O2.C2H2O4/c20-16-8-6-15(7-9-16)14-22-12-10-19(21,11-13-22)18(23)24-17-4-2-1-3-5-17;3-1(4)2(5)6/h6-9,17H,1-5,10-14,21H2;(H,3,4)(H,5,6)/p-2