1-pyrimidin-4-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-pyrimidin-4-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-4-carboxylic acid Openeye Name: 1-pyrimidin-4-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-4-carboxylic acid CAS Name: 1-(4-pyrimidinyl)-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-pyrimidin-4-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-pyrimidyl)-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)isonipecotic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)OCC3(CCN(CC3)C4=NC=NC=C4)C(=O)O

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)OCC3(CCN(CC3)C4=NC=NC=C4)C(=O)O

InChI

InChI=1S/C20H24N4O3/c25-19(26)20(5-9-24(10-6-20)18-4-8-22-14-23-18)13-27-17-2-1-15-3-7-21-12-16(15)11-17/h1-2,4,8,11,14,21H,3,5-7,9-10,12-13H2,(H,25,26)