1-[isoquinolin-6-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(3-quinolyl)methyl]pipecolinic acid Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C25H23N3O2/c29-25(30)23-7-3-4-12-28(23)24(19-8-9-20-15-26-11-10-17(20)13-19)21-14-18-5-1-2-6-22(18)27-16-21/h1-2,5-6,8-11,13-16,23-24H,3-4,7,12H2,(H,29,30)