1-(1-isoquinolin-6-ylpentyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1-isoquinolin-6-ylpentyl)piperidine-4-carboxylic acid Openeye Name: 1-[1-(6-isoquinolyl)pentyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(6-isoquinolinyl)pentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-isoquinolin-6-ylpentyl)piperidine-4-carboxylic acid Traditional Name: 1-[1-(6-isoquinolyl)pentyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCC(C1=CC2=C(C=C1)C=NC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H26N2O2/c1-2-3-4-19(22-11-8-15(9-12-22)20(23)24)17-5-6-18-14-21-10-7-16(18)13-17/h5-7,10,13-15,19H,2-4,8-9,11-12H2,1H3,(H,23,24)