5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-amyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC2=C1CC(NC2)C(=O)O

Isomeric SMILES

CCCCCC1=CC=CC2=C1CC(NC2)C(=O)O

InChI

InChI=1S/C15H21NO2/c1-2-3-4-6-11-7-5-8-12-10-16-14(15(17)18)9-13(11)12/h5,7-8,14,16H,2-4,6,9-10H2,1H3,(H,17,18)