1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-oxidanyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-oxidanyl-piperidine-4-carboxylic acid Openeye Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-hydroxy-piperidine-4-carboxylic acid CAS Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-purinyl]-4-hydroxy-4-piperidinecarboxylic acid IUPAC Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-hydroxypiperidine-4-carboxylic acid Traditional Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-hydroxy-isonipecotic acid Formula: C23H19Cl2N5O3 MolecularWeight: 484.33466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)O)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1(C(=O)O)O)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H19Cl2N5O3/c24-14-5-7-15(8-6-14)30-19(16-3-1-2-4-17(16)25)28-18-20(26-13-27-21(18)30)29-11-9-23(33,10-12-29)22(31)32/h1-8,13,33H,9-12H2,(H,31,32)