(3S)-3-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylate

Systemtic Name: (3S)-3-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylate Openeye Name: (3S)-1-tert-butoxycarbonyl-3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-3-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-tert-butoxycarbonyl-3-(4-chlorobenzyl)nipecotate Formula: C18H23ClNO4- MolecularWeight: 352.83252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@](C1)(CC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C18H24ClNO4/c1-17(2,3)24-16(23)20-10-4-9-18(12-20,15(21)22)11-13-5-7-14(19)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,21,22)/p-1/t18-/m0/s1