5-chloranyl-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4-carboxylic acid Openeye Name: 2-(4-benzyl-1-piperidyl)-5-chloro-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinecarboxylic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-chloropyrimidine-4-carboxylic acid Traditional Name: 2-(4-benzylpiperidino)-5-chloro-pyrimidine-4-carboxylic acid Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=C(C(=N3)C(=O)O)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=C(C(=N3)C(=O)O)Cl

InChI

InChI=1S/C17H18ClN3O2/c18-14-11-19-17(20-15(14)16(22)23)21-8-6-13(7-9-21)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,22,23)