1-pyridin-4-yl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yloxymethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-pyridin-4-yl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yloxymethyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-pyridyl)-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yloxymethyl)piperidine-4-carboxylic acid CAS Name: 1-pyridin-4-yl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yloxymethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-pyridin-4-yl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yloxymethyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-pyridyl)-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yloxymethyl)isonipecotic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CNC1)C=C(C=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC2=C(CNC1)C=C(C=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C22H27N3O3/c26-21(27)22(7-12-25(13-8-22)19-5-10-23-11-6-19)16-28-20-4-3-17-2-1-9-24-15-18(17)14-20/h3-6,10-11,14,24H,1-2,7-9,12-13,15-16H2,(H,26,27)