1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidine-3-carboxylic acid Openeye Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)nipecotic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C16H20N2O3/c19-15(20)14-6-3-8-17(11-14)16(21)18-9-7-12-4-1-2-5-13(12)10-18/h1-2,4-5,14H,3,6-11H2,(H,19,20)