1-[3-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-hydroxy-1-oxo-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-4-yl)butanoyl]isonipecotic acid Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CC(CC2CNCC3=CC=CC=C23)O

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CC(CC2CNCC3=CC=CC=C23)O

InChI

InChI=1S/C19H26N2O4/c22-16(9-15-12-20-11-14-3-1-2-4-17(14)15)10-18(23)21-7-5-13(6-8-21)19(24)25/h1-4,13,15-16,20,22H,5-12H2,(H,24,25)