1-(1-isoquinolin-6-ylpentyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1-isoquinolin-6-ylpentyl)piperidine-3-carboxylic acid Openeye Name: 1-[1-(6-isoquinolyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(6-isoquinolinyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1-isoquinolin-6-ylpentyl)piperidine-3-carboxylic acid Traditional Name: 1-[1-(6-isoquinolyl)pentyl]nipecotic acid Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=C(C=C1)C=NC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCCCC(C1=CC2=C(C=C1)C=NC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H26N2O2/c1-2-3-6-19(22-11-4-5-18(14-22)20(23)24)16-7-8-17-13-21-10-9-15(17)12-16/h7-10,12-13,18-19H,2-6,11,14H2,1H3,(H,23,24)