6-(2H-1,2,3,4-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 6-(2H-1,2,3,4-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 6-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 6-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 6-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 6-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=C(C=C2)CC3=NNN=N3)C(=O)O

Isomeric SMILES

C1C(NCC2=C1C=C(C=C2)CC3=NNN=N3)C(=O)O

InChI

InChI=1S/C12H13N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h1-3,10,13H,4-6H2,(H,18,19)(H,14,15,16,17)