2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid Openeye Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]acetic acid CAS Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-tetrazolyl]acetic acid IUPAC Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]acetic acid Traditional Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]acetic acid Formula: C13H15N5O2 MolecularWeight: 273.2905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=NN=NN3CC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=NN=NN3CC(=O)O

InChI

InChI=1S/C13H15N5O2/c19-13(20)9-18-12(14-15-16-18)8-17-6-5-10-3-1-2-4-11(10)7-17/h1-4H,5-9H2,(H,19,20)