2-[4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-cyano-ethanoic acid

Systemtic Name: 2-[4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-cyano-ethanoic acid Openeye Name: 2-[1-tert-butoxycarbonyl-4-(3-chlorophenyl)-4-piperidyl]-2-cyano-acetic acid CAS Name: 2-[4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-2-cyanoacetic acid IUPAC Name: 2-[4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-cyanoacetic acid Traditional Name: 2-[1-tert-butoxycarbonyl-4-(3-chlorophenyl)-4-piperidyl]-2-cyano-acetic acid Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC(=CC=C2)Cl)C(C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC(=CC=C2)Cl)C(C#N)C(=O)O

InChI

InChI=1S/C19H23ClN2O4/c1-18(2,3)26-17(25)22-9-7-19(8-10-22,15(12-21)16(23)24)13-5-4-6-14(20)11-13/h4-6,11,15H,7-10H2,1-3H3,(H,23,24)