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

Systemtic Name: 1-pyridin-4-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-pyridyl)-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-4-carboxylic acid CAS Name: 1-pyridin-4-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-pyridin-4-yl-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-pyridyl)-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)isonipecotic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c25-20(26)21(6-11-24(12-7-21)18-4-9-22-10-5-18)15-27-19-2-1-16-3-8-23-14-17(16)13-19/h1-2,4-5,9-10,13,23H,3,6-8,11-12,14-15H2,(H,25,26)